SCHEMBL8959614

SCHEMBL8959614

COc1cn(CC(N)OC(=O)/C=C/C(=O)OC(N)Cn2cc(OC)c3cc(F)ccc32)c2ccc(F)cc12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ICMT O60725 4/20 0.39
HTR3A P46098 7/20 0.39
PLA2G4A P47712 1/20 0.37
MMP1 P03956 1/20 0.36
HTR2C P28335 1/20 0.34
PER2 O15055 1/20 0.34
CRY1 Q16526 1/20 0.34
CRY2 Q49AN0 1/20 0.34
THRB P10828 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL8959567 0.78 HTR2A (0.36) ICMTMMP1HTR2C
SCHEMBL8959694 0.75 HTR2C (0.58) HTR2C
Fumaric Acid SCHEMBL8959605 0.75 HTR6 (0.48) ICMTHTR3APLA2G4APOLBCNR1
Fumaric Acid SCHEMBL8959622 0.75 HTR6 (0.48) ICMTHTR3APLA2G4APOLBCNR1
SCHEMBL8959761 0.74 TRPM5 (0.39) HTR2CCNR1CNR2
SCHEMBL23927897 0.72 HTR3A (0.36) ICMTHTR3APLA2G4AHTR2CPER2
SCHEMBL29780354 0.72 HTR3A (0.36) ICMTHTR3APLA2G4AHTR2CPER2
SCHEMBL23927894 0.72 HTR3A (0.36) ICMTHTR3APLA2G4AHTR2CPER2
SCHEMBL8959690 0.72 HTR6 (0.51) ICMT
SCHEMBL8959507 0.69 HTR2C (0.60) ICMTHTR2C

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