SCHEMBL15623797

SCHEMBL15623797

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

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 1/20 0.49
▸ ERAP1 Q9NZ08 1/20 0.49
▸ LNPEP Q9UIQ6 1/20 0.49
▸ FNTA P49354 1/20 0.46
▸ FNTB P49356 1/20 0.46
▸ ANPEP P15144 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ BACE1 P56817 3/20 0.45
▸ LARS1 Q9P2J5 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
SCHEMBL15623810 0.94 ERAP2 (0.53) ERAP2ERAP1LNPEPFNTAFNTB
SCHEMBL15680202 0.86 FNTA (0.48) FNTAFNTBCYP1A2CYP2D6CYP2C9
SCHEMBL15602813 0.85 CARM1 (0.52) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL20570613 0.84 FNTA (0.49) FNTAFNTBCYP1A2CYP2D6CYP2C9
SCHEMBL1792751 0.84 KMT2A (0.59) ANPEPLARS1
SCHEMBL22522245 0.84 KMT2A (0.59) ANPEPLARS1
SCHEMBL4743866 0.84 KMT2A (0.59) ANPEPLARS1
SCHEMBL15680091 0.83 BACE1 (0.49) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL17152189 0.83 ERAP2 (0.46) ERAP2ERAP1LNPEPFNTAFNTB
SCHEMBL17152564 0.83 ANPEP (0.64) ANPEP

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 2 patents. 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
EP-2711077-A1 OXYGEN ABSORBER Mitsubishi Gas Chemical Company, Inc. (JP) 2014-03-26 — — EP disclosed
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