SCHEMBL15680202

SCHEMBL15680202

CCC(N)C(=O)NCc1cccc(CN)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 2/20 0.48
▸ FNTB P49356 2/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ OPRK1 P41145 1/20 0.45
▸ LOXL2 Q9Y4K0 1/20 0.44

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
SCHEMBL15623811 0.94 FNTA (0.52) FNTAFNTBOPRK1
SCHEMBL20570613 0.87 FNTA (0.49) FNTAFNTBCYP1A2CYP2D6CYP2C9
SCHEMBL15623797 0.86 ERAP2 (0.49) FNTAFNTBCYP1A2CYP2D6CYP2C9
SCHEMBL15680236 0.85 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL15623819 0.85 TSHR (0.47) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL15602813 0.85 CARM1 (0.52) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL15680121 0.84 OPRK1 (0.55) FNTAFNTBCYP1A2CYP2D6CYP2C9
SCHEMBL15061150 0.83 FNTA (0.52) FNTAFNTB
SCHEMBL2742286 0.83 KMT2A (0.55) —
SCHEMBL2742291 0.83 KMT2A (0.55) —

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-20140117280-A1 OXYGEN ABSORBER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-05-01 — — US disclosed
Send feedback