SCHEMBL7405449

SCHEMBL7405449

COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(CSc3ccncc3)cc1)CC2.Nc1ccc(CSc2ccncc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.69
HTR2B P41595 17/20 0.69
HTR2A P28223 16/20 0.61
CYP1A2 P05177 14/20 0.61

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
SCHEMBL7079439 0.96 HTR2C (0.75) HTR2CHTR2BHTR2ACYP1A2
SCHEMBL7039791 0.93 HTR2C (0.75) HTR2CHTR2BHTR2ACYP1A2
SCHEMBL7374582 0.85 HTR2C (0.68) HTR2CHTR2BHTR2ACYP1A2
SCHEMBL7042913 0.81 HTR2C (0.77) HTR2CHTR2BHTR2ACYP1A2
SCHEMBL7083985 0.81 HTR2C (0.73) HTR2CHTR2BHTR2ACYP1A2
SCHEMBL7379147 0.79 HTR2C (0.66) HTR2CHTR2BHTR2ACYP1A2
SCHEMBL8474418 0.78 SLC2A1 (0.81) HTR2CHTR2BHTR2ACYP1A2
SCHEMBL7082972 0.77 HTR2C (0.72) HTR2CHTR2BHTR2ACYP1A2
SCHEMBL8476206 0.77 SLC2A1 (0.68) HTR2CHTR2BHTR2ACYP1A2
SCHEMBL7037405 0.76 HTR2C (1.00) HTR2CHTR2BHTR2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996023783-A1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1996-08-08 WO disclosed