SCHEMBL24158317

SCHEMBL24158317

CC(Cc1ccccc1)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)CNC=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ OPRD1 P41143 5/20 0.44
▸ OPRM1 P35372 4/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ TAAR1 Q96RJ0 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ REN P00797 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ LTA4H P09960 2/20 0.42
▸ ACE P12821 1/20 0.42

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
SCHEMBL24158538 0.89 ACE (0.49) OPRD1CTSLCTSBCTSSACE
SCHEMBL24183712 0.86 NPC1 (0.61) NPC1RAB9ATAAR1KMT2AMEN1
SCHEMBL25045555 0.82 CTSS (0.51) OPRD1OPRM1OPRK1KMT2AMEN1
SCHEMBL27354682 0.81 CTSB (0.48) OPRD1OPRM1OPRK1KMT2AMEN1
SCHEMBL24158525 0.80 CHRNB2 (0.44) —
SCHEMBL24158387 0.79 KEAP1 (0.50) OPRD1OPRM1OPRK1CTSSACE
SCHEMBL21389621 0.79 CHRNB2 (0.45) OPRD1OPRM1OPRK1RENMMP8
SCHEMBL27272159 0.79 CHRNA1 (0.46) —
SCHEMBL21882002 0.77 OPRD1 (0.43) OPRD1OPRM1OPRK1RENCTSL
SCHEMBL27272124 0.76 TAAR1 (0.56) NPC1RAB9AOPRD1OPRM1OPRK1

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
EP-3932935-A1 ANTIBACTERIAL PEPTIDES Centre National de la Recherche Scientifique (FR) 2022-01-05 — — EP disclosed
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