SCHEMBL8959694

SCHEMBL8959694

NC(Cn1ccc2cc(F)ccc21)OC(=O)/C=C/C(=O)OC(N)Cn1ccc2cc(F)ccc21

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.58
HTR2A P28223 10/20 0.58
PRMT5 O14744 1/20 0.42
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PPARG P37231 4/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL8959486 0.85 HTR2C (0.58) HTR2CHTR2APRMT5HDAC3HDAC1
SCHEMBL8959627 0.82 HTR2C (0.60) HTR2CHTR2AHDAC1HDAC8HDAC6
SCHEMBL23927907 0.82 HTR2C (0.51) HTR2CHTR2APRMT5HDAC3HDAC1
Fumaric Acid SCHEMBL8959568 0.78 HTR2C (0.59) HTR2CHTR2APRMT5PPARGCYP1A2
Fumaric Acid SCHEMBL8959578 0.78 HTR2C (0.59) HTR2CHTR2APRMT5PPARGCYP1A2
SCHEMBL11032483 0.78 HTR2C (0.65) HTR2CHTR2APRMT5HDAC3HDAC1
Fumaric Acid SCHEMBL8959669 0.78 HTR2C (0.78) HTR2CHTR2APRMT5CYP1A2CYP3A4
Fumaric Acid SCHEMBL8959795 0.78 HTR2C (0.78) HTR2CHTR2APRMT5CYP1A2CYP3A4
Fumaric Acid SCHEMBL8959482 0.78 HTR2C (0.78) HTR2CHTR2APRMT5CYP1A2CYP3A4
Fumaric Acid SCHEMBL8959800 0.78 HTR2C (0.78) HTR2CHTR2APRMT5CYP1A2CYP3A4

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