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SCHEMBL11512382

SCHEMBL11512382

CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 1/20 0.51
▸ OPRD1 P41143 8/20 0.50
▸ OPRM1 P35372 7/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ CCKBR P32239 4/20 0.49
▸ CD40 P25942 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
SCHEMBL31243915 0.93 OPRD1 (0.54) OPRD1OPRM1OPRK1CD40
SCHEMBL31243908 0.89 OPRD1 (0.55) OPRD1OPRM1OPRK1CD40
SCHEMBL5812102 0.89 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL1880497 0.89 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL138411 0.89 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL29388464 0.89 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL11397444 0.89 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL632433 0.89 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL31243859 0.88 OPRD1 (0.58) IL23ROPRD1OPRM1OPRK1CD40
SCHEMBL31243865 0.88 OPRD1 (0.58) IL23ROPRD1OPRM1OPRK1CD40

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-4178284-A Octapeptides AMERICAN HOME PRODUCTS CORPORATION (US) 1979-12-11 — — US disclosed
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