SCHEMBL7763389

SCHEMBL7763389

CCCN(CCC)C1CCc2cccc(Br)c2C1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.71
HTR7 P34969 3/20 0.71
DRD2 P14416 2/20 0.71
HTR1D P28221 2/20 0.71
DRD3 P35462 2/20 0.71
CYP1A2 P05177 1/20 0.71
CYP2D6 P10635 1/20 0.71
TSHR P16473 1/20 0.71
HTR1B P28222 1/20 0.71
HTR2A P28223 1/20 0.71
HTR2C P28335 1/20 0.71
ADRA1A P35348 1/20 0.71
ADRA1B P35368 1/20 0.71
HTR2B P41595 1/20 0.71
HTR5A P47898 1/20 0.71
BLM P54132 1/20 0.69
ALDH1A1 P00352 1/20 0.69
LMNA P02545 1/20 0.69
PMP22 Q01453 1/20 0.69

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
SCHEMBL8630151 1.00 HTR1A (0.71) HTR1AHTR7DRD2HTR1DDRD3
SCHEMBL8634782 1.00 HTR1A (0.71) HTR1AHTR7DRD2HTR1DDRD3
SCHEMBL9451722 0.89 DRD2 (0.71) HTR1AHTR7DRD2DRD3
SCHEMBL9759874 0.88 DRD2 (0.58) HTR1AHTR7DRD2HTR1DDRD3
SCHEMBL2022669 0.85 DRD2 (0.68) HTR1AHTR7DRD2HTR1DDRD3
SCHEMBL14591373 0.84 HTR1A (0.72) HTR1AHTR7DRD2HTR1DDRD3
SCHEMBL6542199 0.84 HTR1A (0.72) HTR1AHTR7DRD2HTR1DDRD3
SCHEMBL9186743 0.83 DRD2 (0.80) HTR1AHTR7DRD2HTR1DDRD3
SCHEMBL9451714 0.83 HTR1A (0.71) HTR1AHTR7DRD2HTR1DDRD3
SCHEMBL8315435 0.83 HTR1A (0.71) HTR1AHTR7DRD2HTR1DDRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5389687-A Selective antagonists of serotonin ELI LILLY AND COMPANY (US) 1995-02-14 US claimed
US-6331636-B1 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, DIABETES, HYPERTENSION, IMPOTENCY, APPETITE CONTROL THE UPJOHN COMPANY 2001-12-18 US disclosed
EP-0579507-B1 Isoxazole derivatives for the treatment of irritable bowel syndrome LILLY CO ELI (US) 2001-10-17 EP disclosed
EP-0712837-B1 Ring-substituted 2-amino-1,2,3,4-tetra-hydronaphthalenes and 3-aminochromanes LILLY CO ELI (US) 2000-10-25 EP disclosed
EP-0476016-B1 CNS active 8-heterocyclyl-2-aminotetralin derivatives UPJOHN CO (US) 1998-10-28 EP disclosed
EP-0683155-B1 Tetrahydrobenz cd indoles with serotonin regulatory activity LILLY CO ELI (US) 1998-07-01 EP disclosed
US-5637624-A ANTISEROTONIN AGENT ELI LILLY AND COMPANY (US) 1997-06-10 US disclosed
EP-0498590-B1 Ring-substituted 2-amino-1,2,3,4-tetra-hydronaphthalenes LILLY CO ELI (US) 1997-04-09 EP disclosed
EP-0471515-B1 Ring-substituted 2-amino-1,2,3,4-tetra-hydronaphthalenes, 3-aminochromanes and 3-aminothiochromanes LILLY CO ELI (US) 1997-03-05 EP disclosed
US-5594025-A Method of inhibiting gastric acid secretion with 5-substituted-3-aminochromane ELI LILLY AND COMPANY (US) 1997-01-14 US disclosed
EP-0471515-A1 Ring-substituted 2-amino-1,2,3,4-tetra-hydronaphthalenes, 3-aminochromanes and 3-aminothiochromanes ELI LILLY AND COMPANY (US) 1992-02-19 EP disclosed
EP-0455510-A2 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion ELI LILLY AND COMPANY (US) 1991-11-06 EP disclosed
EP-0452390-A1 HALO SUBSTITUTED AMINOTETRALINS. UPJOHN CO (US) 1991-10-23 EP disclosed
US-5047422-A Treating A Disorder Of The Central Nervous System, Cardiovascular System Or Intestinal Tract BAYER AKTIENGESELLSCHAFT (DE) 1991-09-10 US disclosed
WO-1990015047-A1 THERAPEUTICALLY USEFUL 2-AMINOTETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1990-12-13 WO disclosed
US-4968679-A DISORDERS OF CENTRAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM OR INTESTINAL TRACT BAYER AKTIENGESELLSCHAFT (DE) 1990-11-06 US disclosed
EP-0385658-A1 Ring-substituted 2-amino 1,2,3,4-tetra-hydronaphthalenes and 3-aminochromanes ELI LILLY AND COMPANY (US) 1990-09-05 EP disclosed
WO-1990007490-A1 HALO SUBSTITUTED AMINOTETRALINS THE UPJOHN COMPANY (US) 1990-07-12 WO disclosed
US-4873262-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, CARDIIOVASCULAR SYSTEM OR INTESTINAL TRACT BAYER AKTIENGESELLSCHAFT (DE) 1989-10-10 US disclosed
EP-0272534-A2 8-substituted 2-aminotetralins BAYER AG (DE) 1988-06-29 EP disclosed