SCHEMBL6519161

SCHEMBL6519161

C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.54
▸ OPRD1 P41143 4/20 0.54
▸ OPRL1 P41146 7/20 0.53
▸ OPRK1 P41145 1/20 0.53
▸ PRMT1 Q99873 1/20 0.52
▸ MMP2 P08253 1/20 0.48

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
SCHEMBL31257077 0.94 OPRM1 (0.57) OPRM1OPRD1OPRL1OPRK1PRMT1
SCHEMBL31257045 0.94 OPRM1 (0.56) OPRM1OPRD1OPRL1OPRK1
SCHEMBL31243930 0.90 OPRD1 (0.65) OPRM1OPRD1OPRL1OPRK1
SCHEMBL29549877 0.88 OPRD1 (0.59) OPRM1OPRD1OPRK1
SCHEMBL31243871 0.88 OPRD1 (0.65) OPRM1OPRD1OPRL1OPRK1
SCHEMBL29659661 0.87 MMP2 (0.54) OPRK1MMP2
SCHEMBL31347335 0.87 OPRL1 (0.56) OPRM1OPRD1OPRL1OPRK1
SCHEMBL30786037 0.86 MMP2 (0.63) OPRM1OPRD1OPRK1MMP2
SCHEMBL29679713 0.86 MMP2 (0.63) OPRM1OPRD1OPRK1MMP2
SCHEMBL29375819 0.86 OPRM1 (0.54) OPRM1OPRD1OPRL1OPRK1

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-20050037343-A1 Three dimensional format biochips BIOCEPT, INC. 2005-02-17 — — US disclosed
Send feedback