SCHEMBL11327785

SCHEMBL11327785

CCCC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 14/20 0.62
CCKAR P32238 10/20 0.62
OPRD1 P41143 6/20 0.62
REN P00797 1/20 0.58
OPRM1 P35372 2/20 0.55
CTSS P25774 1/20 0.55
CTSK P43235 1/20 0.55
PTPN1 P18031 1/20 0.54
AMY2A P04746 4/20 0.54

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
SCHEMBL11333521 0.89 REN (0.57) CCKBRCCKAROPRD1RENCTSS
SCHEMBL11131400 0.87 CTSS (0.57) CCKBRCCKAROPRD1RENCTSS
SCHEMBL11326165 0.87 OPRD1 (0.59) CCKBRCCKAROPRD1OPRM1
SCHEMBL11125595 0.87 CTSK (0.63) CCKBRCCKAROPRD1RENCTSS
SCHEMBL11339433 0.85 OPRD1 (0.60) CCKBRCCKAROPRD1OPRM1
Acetic Acid SCHEMBL11337462 0.85 OPRD1 (0.58) CCKBRCCKAROPRD1OPRM1
Acetic Acid SCHEMBL11331937 0.84 OPRD1 (0.68) CCKBRCCKAROPRD1OPRM1
SCHEMBL194796 0.83 CCKBR (0.65) CCKBRCCKARAMY2A
SCHEMBL11337220 0.83 CTSL (0.65) CTSSCTSK
SCHEMBL11525136 0.82 CTSS (0.64) OPRD1OPRM1CTSSCTSK

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-4288432-A ANALGESICS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1981-09-08 US disclosed