SCHEMBL8959567

SCHEMBL8959567

COc1cn(CC(N)OC(=O)/C=C/C(=O)OC(N)Cn2cc(OC)c3c(Cl)c(F)ccc32)c2ccc(F)c(Cl)c12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
ICMT O60725 1/20 0.32
MMP1 P03956 2/20 0.31
TNF P01375 1/20 0.31
GNRHR P30968 1/20 0.30
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30
HTR2B P41595 1/20 0.30
XPO1 O14980 1/20 0.30

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
SCHEMBL8959761 0.79 TRPM5 (0.39) HTR2AHTR2C
SCHEMBL8959614 0.78 ICMT (0.39) HTR2CICMTMMP1
Fumaric Acid SCHEMBL8959560 0.77 TRPM5 (0.36) HTR2AHTR2CICMTHTR2B
Fumaric Acid SCHEMBL8959571 0.77 TRPM5 (0.36) HTR2AHTR2CICMTHTR2B
SCHEMBL8959507 0.77 HTR2C (0.60) HTR2AHTR2CICMTTNFHTR2B
SCHEMBL8959806 0.74 HTR2A (0.40) HTR2AHTR2CHTR2B
Fumaric Acid SCHEMBL8959880 0.71 HTR2C (0.36) HTR2AHTR2CICMTGNRHR
Fumaric Acid SCHEMBL8959888 0.71 HTR2C (0.36) HTR2AHTR2CICMTGNRHR
SCHEMBL8959947 0.69 NOTUM (0.37) HTR2AHTR2CHTR2B
Fumaric Acid SCHEMBL8959900 0.67 HTR2A (0.47) HTR2AHTR2CICMTTNFHTR2B

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
US-5494928-A FOR CENTRAL NERVOUS SYSTEM DISORDERS, BLOCKING SEROTONIN RECEPTORS, ANTIDEPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed