SCHEMBL4896

SCHEMBL4896

Cc1ccccc1N1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 1.00
HTR7 P34969 4/20 0.73
HTR3A P46098 6/20 0.67
HTR1A P08908 6/20 0.67
CYP1A2 P05177 3/20 0.61
CYP2D6 P10635 3/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2C9 P11712 2/20 0.61
HTR6 P50406 3/20 0.59
HTR3E A5X5Y0 2/20 0.59
HTR3B O95264 2/20 0.59
HTR3D Q70Z44 2/20 0.59
HTR3C Q8WXA8 2/20 0.59
SIGMAR1 Q99720 2/20 0.59
DRD2 P14416 1/20 0.59
CYP2C19 P33261 1/20 0.59
DRD3 P35462 1/20 0.59
LMNA P02545 2/20 0.58
MAPT P10636 1/20 0.58
HTR2A P28223 2/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29432760 1.00 ADRB1 (1.00) ADRB1HTR7HTR3AHTR1ACYP1A2
SCHEMBL2209183 1.00 ADRB1 (1.00) ADRB1HTR7HTR3AHTR1ACYP1A2
Hydrochloric Acid SCHEMBL30182987 0.98 ADRB1 (0.96) ADRB1HTR7HTR3AHTR1ACYP1A2
Hydrochloric Acid SCHEMBL615079 0.98 ADRB1 (0.96) ADRB1HTR7HTR3AHTR1ACYP1A2
Hydrochloric Acid SCHEMBL615080 0.98 ADRB1 (0.96) ADRB1HTR7HTR3AHTR1ACYP1A2
Hydrochloric Acid SCHEMBL314296 0.98 ADRB1 (0.96) ADRB1HTR7HTR3AHTR1ACYP1A2
Bromide SCHEMBL10672999 0.98 ADRB1 (0.96) ADRB1HTR7HTR3AHTR1ACYP1A2
SCHEMBL409069 0.93 ADRB1 (0.86) ADRB1HTR7HTR3AHTR1ACYP1A2
Hydrochloric Acid SCHEMBL18043576 0.91 ADRB1 (0.83) ADRB1HTR7HTR3AHTR1ACYP1A2
Bicarbonate SCHEMBL11622663 0.91 ADRB1 (0.83) ADRB1HTR7HTR3AHTR1ACYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1202 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US claimed
CN-114751858-B Quinolinyl-containing tranexamic acid derivative and preparation and application thereof 沈阳药科大学 2023-09-12 CN claimed
CN-114751858-A Quinolinyl-containing tranexamic acid derivative, preparation and application thereof 沈阳药科大学 2022-07-15 CN claimed
CN-111795963-B Method for chromogenic detection of piperazine novel psychotropic active substances 福建警察学院 2022-05-03 CN claimed
CN-111879767-B Color development test method of piperazine novel mental active substance 福建警察学院 2022-05-03 CN claimed
CN-111879767-A Color development test method of piperazine novel mental active substance 福建警察学院 2020-11-03 CN claimed
CN-111795963-A Method for chromogenic detection of piperazine novel psychotropic active substances 福建警察学院 2020-10-20 CN claimed
CN-103328449-A Novel tetrahydroquinoline derivatives HOFFMANN LA ROCHE 2013-09-25 CN claimed
CN-102858746-A Novel 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN LA ROCHE 2013-01-02 CN claimed
CN-102216282-A Aryl piperazines and their use as alpha 2C antagonists ORION CORP 2011-10-12 CN claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
CN-1315840-C Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2007-05-16 CN claimed
EP-1487449-A4 TYROSYL DERIVATIVES AND THEIR USE AS P2X7 RECEPTOR MODULATORS KING PHARMACEUTICALS RES & DEV (US) 2006-08-23 EP claimed
EP-1487449-A1 TYROSYL DERIVATIVES AND THEIR USE AS P2X7 RECEPTOR MODULATORS King Pharmaceuticals Research and Development Inc. (US) 2004-12-22 EP claimed
CN-1547584-A Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods 2004-11-17 CN claimed
WO-2003059353-A1 TYROSYL DERIVATIVES AND THEIR USE AS P2X7 RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2003-07-24 WO claimed
WO-1994020483-A1 PROCESS TO DERIVATIVES OF PIPERIZINYLCAMPHORSULFONYL OXYTOCIN ANTAGONISTS MERCK & CO., INC. (US) 1994-09-15 WO claimed
EP-0614894-A1 Process for the synthesis of substituted amide derivatives of piperazinylcamphorsulfonyl oxytocin antagonists MERCK & CO. INC. (US) 1994-09-14 EP claimed
EP-0539180-A1 Antiviral agents SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-04-28 EP claimed
US-4556656-A HYPOTENSIVE, ANTIPSYCHOTIC, DIABETIC, AND ANALGESIC AGENTS THE UPJOHN COMPANY (US) 1985-12-03 US claimed