SCHEMBL8932742

SCHEMBL8932742

COn1ccc2cc(Br)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
SLC6A2 P23975 3/20 0.43
ROCK1 Q13464 1/20 0.40
HTR7 P34969 2/20 0.39
MCL1 Q07820 1/20 0.38
HTR6 P50406 2/20 0.36
FABP4 P15090 2/20 0.35
NTSR1 P30989 1/20 0.35
CYP2A6 P11509 1/20 0.34
FABP3 P05413 1/20 0.34
FABP2 P12104 1/20 0.34
FABP5 Q01469 1/20 0.34
PRMT5 O14744 2/20 0.33
SLC6A4 P31645 1/20 0.33
PRKCI P41743 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL10524329 0.78 HTR2A (0.45) HTR2AHTR2CROCK1FABP4CYP2A6
SCHEMBL16321366 0.78 MCL1 (0.43) HTR2AHTR2CSLC6A2ROCK1HTR7
SCHEMBL30235311 0.74 PRKCI (0.59) HTR2AHTR2CSLC6A2ROCK1HTR7
SCHEMBL856111 0.74 PRKCI (0.59) HTR2AHTR2CSLC6A2ROCK1HTR7
SCHEMBL17968774 0.73 PDE2A (0.31) PRKCI
SCHEMBL8606795 0.72 HDAC6 (0.57)
SCHEMBL321199 0.71 CDK4 (0.45) HTR2AHTR2CSLC6A2HTR6PRKCI
SCHEMBL29614841 0.71 CDK4 (0.45) HTR2AHTR2CSLC6A2HTR6PRKCI
SCHEMBL4951865 0.71 ACHE (0.40)
SCHEMBL4951595 0.71 PRKCI (0.37) HTR2AHTR2CROCK1PRKCI

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-1996026207-A1 THIAZOLIDINE AND OXAZOLIDINE INDOLES WITH HYPOCLYCEMIC ACTIVITY NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-29 WO disclosed