SCHEMBL9733015

SCHEMBL9733015

COc1ccc2[nH]cc(CNCc3cccc(C(F)(F)F)c3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.58
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SSTR1 P30872 1/20 0.53
SSTR2 P30874 1/20 0.53
SSTR4 P31391 1/20 0.53
SSTR3 P32745 1/20 0.53
TRPV1 Q8NER1 1/20 0.52
GPR84 Q9NQS5 1/20 0.51
MITF O75030 1/20 0.50

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
SCHEMBL9733181 0.79 KMT2A (0.48) HTR2AKMT2AKDM4EMEN1ALDH1A1
SCHEMBL5947960 0.78 HTR2A (0.69) HTR2AKMT2ATRPV1
SCHEMBL10382030 0.76 TRPV1 (0.52) HTR2AKMT2AKDM4EMEN1ALDH1A1
SCHEMBL9583723 0.76 MEN1 (0.46) KMT2AKDM4EMEN1SSTR1SSTR2
SCHEMBL14036722 0.76 HTR2A (0.75) HTR2AKDM4EGPR84
SCHEMBL9733190 0.74 PLA2G2A (0.60) KMT2AKDM4EMEN1ALDH1A1MITF
SCHEMBL2539047 0.74 HTR2A (0.67) HTR2AKMT2A
SCHEMBL2538776 0.74 HTR2A (0.67) HTR2AKMT2AMEN1
SCHEMBL5947303 0.74 HTR2A (0.78) HTR2AKMT2A
SCHEMBL948317 0.74 HTR2A (1.00) HTR2AKMT2AMEN1

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-1992007829-A1 INDOLE-3-METHANAMINES USEFUL AS ANTI-DIABETIC, ANTI-OBESITY AND ANTI-ATHEROSCLEROTIC AGENTS THE UPJOHN COMPANY (US) 1992-05-14 WO disclosed