SCHEMBL28741101

SCHEMBL28741101

NCCCC(Cc1ccncc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 7/20 0.55
▸ FOLH1 Q04609 2/20 0.51
▸ ERAP2 Q6P179 2/20 0.50
▸ ERAP1 Q9NZ08 2/20 0.50
▸ ANPEP P15144 2/20 0.49
▸ CPA3 P15088 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ TBXAS1 P24557 1/20 0.45
▸ CPB1 P15086 1/20 0.45
▸ HRH1 P35367 2/20 0.43

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
SCHEMBL14125358 0.90 ERAP2 (0.52) CPB2FOLH1ERAP2ERAP1ANPEP
SCHEMBL429946 0.85 FOLH1 (0.70) CPB2FOLH1CPA3CYP1A2CPB1
SCHEMBL21896403 0.84 FOLH1 (0.51) FOLH1ERAP2ERAP1ANPEPCPA3
Hydrochloric Acid SCHEMBL30239113 0.83 FOLH1 (0.68) CPB2FOLH1CPA3CYP1A2CPB1
SCHEMBL27880109 0.81 FOLH1 (0.51) CPB2FOLH1CPA3CYP1A2
SCHEMBL4017000 0.79 FOLH1 (0.66) CPB2FOLH1ERAP2ANPEPCPA3
SCHEMBL4016996 0.79 FOLH1 (0.66) CPB2FOLH1ERAP2ANPEPCPA3
SCHEMBL4023050 0.79 FOLH1 (0.66) CPB2FOLH1ERAP2ANPEPCPA3
SCHEMBL7346172 0.78 CYP1A2 (0.77) CPB2FOLH1ERAP2ERAP1ANPEP
SCHEMBL7048054 0.76 FOLH1 (0.70) FOLH1CPA3CYP1A2

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
CN-1210256-C Diacylhydrazine derivs. MERCK PATENT GMBH (DE) 2005-07-13 — — CN disclosed
CN-1360568-A Diacylhydrazine derivs. MERCK PATENT GMBH (DE) 2002-07-24 — — CN disclosed
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