SCHEMBL8317538

SCHEMBL8317538

c1cc2sccc2c(N2CC[N]CC2)n1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.70
DRD2 P14416 4/20 0.46
HTR2A P28223 4/20 0.46
DRD3 P35462 4/20 0.46
ABCB1 P08183 1/20 0.46
ABCC1 P33527 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46

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
SCHEMBL3681749 0.84 HTR2C (0.70) HTR2CDRD2HTR2ADRD3ABCB1
SCHEMBL616087 0.83 HTR2C (1.00) HTR2C
SCHEMBL6642883 0.80 HTR2C (0.65) HTR2CDRD2HTR2ADRD3ABCB1
Hydrochloric Acid SCHEMBL7594335 0.79 HTR2C (0.63) HTR2CDRD2HTR2ADRD3ABCB1
SCHEMBL3680468 0.79 HTR2C (0.63) HTR2CDRD2HTR2ADRD3
SCHEMBL5236782 0.78 HTR2C (0.62) HTR2CDRD2HTR2ADRD3
SCHEMBL5107750 0.74 HTR2C (0.70) HTR2C
SCHEMBL3678498 0.73 HTR2C (0.67) HTR2CDRD2HTR2ADRD3ABCB1
SCHEMBL3675198 0.71 HTR2C (0.53) HTR2CDRD2HTR2ADRD3
SCHEMBL3681724 0.71 HTR2C (0.53) HTR2CDRD2HTR2ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850235-B1 QUINOLEIN-2(1H)-ONE DERIVATIVES AS SEROTONIN ANTAGONISTS SANOFI SYNTHELABO (FR) 1999-12-01 EP claimed
US-5958924-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS, RESTENOSIS, ANTICOALUGANTS, RESPIRATORY SYSTEM DISORDERS SYNTHELABO (FR) 1999-09-28 US claimed
CN-1094490-C Quinolin-2 (1H) -one derivatives as serotonin antagonists SANOFI SYNTHELABO (FR) 2002-11-20 CN disclosed
EP-0850235-B1 QUINOLEIN-2(1H)-ONE DERIVATIVES AS SEROTONIN ANTAGONISTS SANOFI SYNTHELABO (FR) 1999-12-01 EP disclosed
US-5958924-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS, RESTENOSIS, ANTICOALUGANTS, RESPIRATORY SYSTEM DISORDERS SYNTHELABO (FR) 1999-09-28 US disclosed
US-5958924-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS, RESTENOSIS, ANTICOALUGANTS, RESPIRATORY SYSTEM DISORDERS SYNTHELABO (FR) 1999-09-28 US disclosed
CN-1202168-A Quinolein-2(1H)-one derivatives as serotonin antagonists SYNTHELABO (FR) 1998-12-16 CN disclosed
EP-0850235-A1 QUINOLEIN-2(1H)-ONE DERIVATIVES AS SEROTONIN ANTAGONISTS SYNTHELABO (FR) 1998-07-01 EP disclosed
WO-1997010238-A1 QUINOLEIN-2(1H)-ONE DERIVATIVES AS SEROTONIN ANTAGONISTS SYNTHELABO (FR) 1997-03-20 WO disclosed