SCHEMBL31528348

SCHEMBL31528348

CC(NC(=O)C(N)Cc1ccccc1)C(=O)NC(CCCCN)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 2/20 0.58
▸ LNPEP Q9UIQ6 2/20 0.58
▸ GNPAT O15228 1/20 0.54
▸ OPRK1 P41145 2/20 0.53
▸ MMP2 P08253 1/20 0.51
▸ OPRD1 P41143 5/20 0.50
▸ OPRM1 P35372 4/20 0.50
▸ REN P00797 1/20 0.49
▸ ECE1 P42892 1/20 0.49

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
SCHEMBL29350734 1.00 ERAP2 (0.58) ERAP2LNPEPGNPATOPRK1MMP2
SCHEMBL31181266 0.97 GNPAT (0.59) ERAP2LNPEPGNPATOPRK1OPRD1
SCHEMBL30497071 0.96 GNPAT (0.58) ERAP2LNPEPGNPATOPRK1OPRD1
SCHEMBL30407529 0.93 OPRK1 (0.56) ERAP2LNPEPGNPATOPRK1OPRD1
SCHEMBL170652 0.93 ERAP2 (0.65) ERAP2LNPEPGNPATOPRK1MMP2
SCHEMBL1711485 0.93 ERAP2 (0.65) ERAP2LNPEPGNPATOPRK1MMP2
SCHEMBL28540087 0.93 ERAP2 (0.65) ERAP2LNPEPGNPATOPRK1MMP2
SCHEMBL29372662 0.93 ERAP2 (0.65) ERAP2LNPEPGNPATOPRK1MMP2
SCHEMBL29382413 0.93 ERAP2 (0.65) ERAP2LNPEPGNPATOPRK1MMP2
SCHEMBL9747671 0.93 ERAP2 (0.65) ERAP2LNPEPGNPATOPRK1MMP2

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
WO-2025078919-A1 TOPICAL COMPOSITION Exalya S.r.l. (IT) 2025-04-17 — — WO disclosed
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