SCHEMBL7540124

SCHEMBL7540124

CC(=O)NCc1ccccc1N1CCNCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETDB1 Q15047 1/20 0.55
HTR1A P08908 2/20 0.50
DRD2 P14416 2/20 0.50
DRD3 P35462 2/20 0.50
DRD4 P21917 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
BRD9 Q9H8M2 1/20 0.50
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
ADRB1 P08588 3/20 0.47
FABP3 P05413 1/20 0.47
FABP4 P15090 1/20 0.47
LIPG Q9Y5X9 2/20 0.46
HTR6 P50406 2/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR3A P46098 1/20 0.44

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
Hydrochloric Acid SCHEMBL8335595 0.99 SETDB1 (0.53) SETDB1HTR1ADRD2DRD3DRD4
SCHEMBL14355994 0.86 BRD9 (0.48) HTR1ADRD2DRD3DRD4HTR2A
SCHEMBL5332614 0.86 HTR1A (0.51) HTR1ADRD2DRD3DRD4HTR2A
SCHEMBL17468452 0.85 FABP3 (0.62) SETDB1FABP3FABP4LIPGCYP2C19
SCHEMBL5338207 0.85 BRD9 (0.47) HTR1ADRD2DRD3DRD4HTR2A
SCHEMBL14355761 0.84 SETDB1 (0.56) SETDB1HTR1ADRD2DRD3DRD4
SCHEMBL5334419 0.83 ALDH1A1 (0.51) HTR1ADRD2DRD3DRD4BRD9
SCHEMBL6990507 0.83 DRD2 (0.48) HTR1ADRD2DRD3DRD4HTR2A
SCHEMBL22542108 0.82 SETDB1 (0.59) SETDB1HTR1AHTR2AHTR2CSLC6A4
SCHEMBL6222309 0.81 HTR1A (0.54) HTR1ADRD2DRD3DRD4HTR2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
EP-1205473-A1 VESAMICOL PIPERAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME DAIICHI RADIOISOTOPE LABORATORIES, LTD. (JP) 2002-05-15 EP disclosed
WO-1998025617-A1 SUBSTITUTED ARYL PIPERAZINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 1998-06-18 WO disclosed
EP-0783498-A4 SUBSTITUTED ARYL PIPERAZINES AS NEUROKININ ANTAGONISTS MERCK & CO INC (US) 1998-04-15 EP disclosed
EP-0783498-A1 SUBSTITUTED ARYL PIPERAZINES AS NEUROKININ ANTAGONISTS MERCK & CO. INC. (US) 1997-07-16 EP disclosed
US-5607936-A USEFUL IN TREATMENT OF RESPIRATORY DISEASES MERCK & CO., INC. (US) 1997-03-04 US disclosed
WO-1996010568-A1 SUBSTITUTED ARYL PIPERAZINES AS NEUROKININ ANTAGONISTS MERCK & CO., INC. (US) 1996-04-11 WO disclosed