SCHEMBL30414371

SCHEMBL30414371

N=C(N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 6/20 0.57
▸ OPRM1 P35372 4/20 0.57
▸ NMUR2 Q9GZQ4 5/20 0.56
▸ NMUR1 Q9HB89 5/20 0.56
▸ C5AR1 P21730 1/20 0.54
▸ EPHA2 P29317 2/20 0.50
▸ NTSR1 P30989 2/20 0.50
▸ RAMP3 O60896 1/20 0.50
▸ CALCR P30988 1/20 0.50
▸ MC4R P32245 1/20 0.50
▸ MC5R P33032 1/20 0.50
▸ MC3R P41968 1/20 0.50
▸ MC1R Q01726 1/20 0.50
▸ APLNR P35414 1/20 0.50

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
SCHEMBL29865201 0.89 OPRM1 (0.56) OPRD1OPRM1NMUR2NMUR1C5AR1
SCHEMBL29865057 0.89 OPRM1 (0.56) OPRD1OPRM1NMUR2NMUR1C5AR1
SCHEMBL30405782 0.89 NMUR2 (0.57) OPRD1OPRM1NMUR2NMUR1EPHA2
SCHEMBL29934595 0.88 NMUR2 (0.58) OPRD1NMUR2NMUR1NTSR1RAMP3
SCHEMBL30302482 0.86 NMUR2 (0.62) OPRD1OPRM1NMUR2NMUR1EPHA2
SCHEMBL30605471 0.86 NMUR2 (0.63) OPRM1NMUR2NMUR1NTSR1
SCHEMBL21571000 0.86 NMUR2 (0.52) OPRD1OPRM1NMUR2NMUR1C5AR1
SCHEMBL31325181 0.86 OPRD1 (0.71) OPRD1OPRM1NMUR2NMUR1C5AR1
SCHEMBL21579357 0.85 NMUR2 (0.52) OPRD1OPRM1NMUR2NMUR1C5AR1
SCHEMBL6889257 0.85 OPRD1 (0.54) OPRD1OPRM1NMUR2NMUR1C5AR1

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-11655470-B2 Diagnosing COL6-related disorders and methods for treating same THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2023-05-23 — — US disclosed
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