SCHEMBL8513742

SCHEMBL8513742

O=C(O)[C@H](Cc1ccc(O)cc1)N(CCc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 7/20 0.46
▸ OPRD1 P41143 7/20 0.46
▸ OPRK1 P41145 7/20 0.46
▸ TRPV1 Q8NER1 1/20 0.44
▸ ADAMTS5 Q9UNA0 1/20 0.44
▸ CPA1 P15085 4/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ FNTA P49354 1/20 0.42
▸ FNTB P49356 1/20 0.42
▸ ANPEP P15144 3/20 0.40
▸ ERAP2 Q6P179 3/20 0.40
▸ ERAP1 Q9NZ08 3/20 0.40
▸ LAP3 P28838 1/20 0.40
▸ ENPEP Q07075 1/20 0.40
▸ SLC7A5 Q01650 1/20 0.40
▸ ACE P12821 1/20 0.40

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
SCHEMBL20856984 0.87 FNTA (0.47) TRPV1CPA1FNTAFNTBSLC7A5
SCHEMBL5341495 0.78 SLC7A5 (0.50) CPA1FNTAFNTBSLC7A5
SCHEMBL31480546 0.78 SLC7A5 (0.50) CPA1FNTAFNTBSLC7A5
SCHEMBL432795 0.78 SLC7A5 (0.49) CPA1FNTAFNTBSLC7A5
SCHEMBL432794 0.78 SLC7A5 (0.49) CPA1FNTAFNTBSLC7A5
SCHEMBL31480614 0.76 SLC7A5 (0.47) CPA1FNTAFNTBSLC7A5
SCHEMBL5966737 0.75 SLC7A5 (0.46) CPA1FNTAFNTBSLC7A5
SCHEMBL598437 0.74 CPA1 (0.54) ADAMTS5CPA1SLC7A5
SCHEMBL598436 0.74 CPA1 (0.54) ADAMTS5CPA1SLC7A5
SCHEMBL20522201 0.73 KDM6B (0.47) CPA1KDM4ESLC7A5

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-20120136416-A1 Caged Neuropeptides: modulation and measurement of synapse and signaling activity; and methods for drug evaluation, pharmaceuticals preparation and treatment PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-31 — — US disclosed
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