SCHEMBL8526804

SCHEMBL8526804

CCSc1ccc2c(c1)CCN2C(=O)Nc1cccnc1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 19/20 0.79
HTR2A P28223 16/20 0.79
HTR2B P41595 1/20 0.68

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
SCHEMBL8527704 0.89 HTR2C (1.00) HTR2CHTR2AHTR2B
SCHEMBL8527702 0.83 HTR2C (0.80) HTR2CHTR2AHTR2B
SCHEMBL8526785 0.83 HTR2C (0.80) HTR2CHTR2AHTR2B
SCHEMBL8527508 0.83 HTR2C (1.00) HTR2CHTR2AHTR2B
SCHEMBL8529842 0.82 HTR2C (0.72) HTR2CHTR2A
SCHEMBL8529483 0.81 HTR2C (0.76) HTR2CHTR2A
SCHEMBL8526274 0.81 HTR2C (0.76) HTR2CHTR2A
SCHEMBL7417766 0.80 HTR2C (0.71) HTR2CHTR2A
SCHEMBL8529839 0.80 HTR2C (1.00) HTR2CHTR2A
SCHEMBL8529224 0.80 HTR2C (1.00) HTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5834494-A SEROTONIN 5HT2B/2C RECEPTOR ANTAGONISTS; CNS NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; IRRITABLE BOWEL SYNDROME SMITHKLINE BEECHAM P.L.C. (GB) 1998-11-10 US claimed
EP-0707581-B1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-02-26 EP claimed
US-5834494-A SEROTONIN 5HT2B/2C RECEPTOR ANTAGONISTS; CNS NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; IRRITABLE BOWEL SYNDROME SMITHKLINE BEECHAM P.L.C. (GB) 1998-11-10 US disclosed
EP-0707581-B1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-02-26 EP disclosed