SCHEMBL9050180

SCHEMBL9050180

O=C(Nc1cccnc1)N1CCc2c1ccc1sccc21

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 16/20 0.64
HTR2A P28223 15/20 0.64

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
SCHEMBL5754949 0.81 HTR2C (0.67) HTR2CHTR2A
SCHEMBL7417566 0.79 HTR2C (0.71) HTR2CHTR2A
SCHEMBL9049771 0.78 CYP1A2 (0.54)
SCHEMBL8803151 0.78 HTR2C (0.67) HTR2CHTR2A
SCHEMBL8804724 0.78 HTR2C (0.67) HTR2CHTR2A
SCHEMBL7419042 0.78 HTR2C (1.00) HTR2CHTR2A
SCHEMBL8528454 0.78 HTR2C (1.00) HTR2CHTR2A
SCHEMBL5752415 0.77 HTR2C (0.62) HTR2CHTR2A
SCHEMBL2851753 0.77 HTR2C (0.75) HTR2CHTR2A
SCHEMBL7422334 0.76 HTR2C (0.72) HTR2CHTR2A

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
EP-0691973-A1 THIENO-INDOLE DERIVATIVES AS 5HT2c AND 5HT2b ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-01-17 EP claimed
WO-1994022871-A1 THIENO-INDOLE DERIVATIVES AS 5HT2c AND 5HT2b ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-10-13 WO claimed
EP-0691973-A1 THIENO-INDOLE DERIVATIVES AS 5HT2c AND 5HT2b ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-01-17 EP disclosed
WO-1994022871-A1 THIENO-INDOLE DERIVATIVES AS 5HT2c AND 5HT2b ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-10-13 WO disclosed