SCHEMBL31510132

SCHEMBL31510132

NCCCC[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.60
▸ OPRM1 P35372 5/20 0.56
▸ OPRD1 P41143 4/20 0.56
▸ ACE P12821 4/20 0.53
▸ SLC6A2 P23975 1/20 0.52
▸ OPRK1 P41145 1/20 0.51

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
SCHEMBL31756935 0.95 F2 (0.65) F2OPRM1OPRD1ACESLC6A2
SCHEMBL29676363 0.91 NTSR1 (0.57) F2OPRM1OPRD1OPRK1
SCHEMBL29701313 0.88 CALCRL (0.59) F2OPRM1OPRD1ACESLC6A2
SCHEMBL31513749 0.88 OPRM1 (0.59) F2OPRM1OPRD1ACESLC6A2
SCHEMBL29531913 0.87 OPRM1 (0.56) F2OPRM1OPRD1SLC6A2OPRK1
SCHEMBL30631502 0.87 OPRD1 (0.59) F2OPRM1OPRD1
SCHEMBL30658558 0.86 F2 (0.56) F2OPRM1OPRD1ACESLC6A2
SCHEMBL30197420 0.86 F2 (0.60) F2OPRM1OPRD1ACESLC6A2
SCHEMBL26211532 0.86 F2 (0.54) F2OPRM1OPRD1ACEOPRK1
SCHEMBL31694408 0.86 F2 (0.58) F2OPRM1OPRD1ACESLC6A2

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-119552221-A Small molecule peptide composition for regulating natural bezoar production and method thereof 北京永慧互赢科技有限公司 2025-03-04 — — CN claimed
CN-119552221-A Small molecule peptide composition for regulating natural bezoar production and method thereof 北京永慧互赢科技有限公司 2025-03-04 — — CN disclosed
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