SCHEMBL16350002

SCHEMBL16350002

CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC1=NC=NC1)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 8/20 0.46
▸ OPRM1 P35372 3/20 0.43
▸ CXCR4 P61073 1/20 0.42
▸ NMUR2 Q9GZQ4 3/20 0.42
▸ NMUR1 Q9HB89 3/20 0.42
▸ F2R P25116 2/20 0.42
▸ OPRK1 P41145 2/20 0.41

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
SCHEMBL13811938 0.95 NMUR2 (0.42) OPRD1CXCR4NMUR2NMUR1
SCHEMBL16350040 0.83 F2R (0.39) OPRD1OPRM1NMUR2NMUR1F2R
SCHEMBL13811921 0.81 CXCR4 (0.57) CXCR4
SCHEMBL13120983 0.76 REN (0.53) CXCR4
SCHEMBL30636809 0.75 OPRD1 (0.50) OPRD1OPRM1CXCR4NMUR2NMUR1
SCHEMBL29669221 0.74 CXCR4 (0.49) OPRD1OPRM1CXCR4
SCHEMBL13467354 0.73 APLNR (0.52) OPRD1OPRM1OPRK1
SCHEMBL15381927 0.73 RAMP3 (0.54) CXCR4
SCHEMBL29358225 0.73 OPRD1 (0.68) OPRD1OPRM1NMUR2NMUR1OPRK1
SCHEMBL30899149 0.72 OPRD1 (0.59) OPRD1OPRM1NMUR2NMUR1

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-7544661-B2 Self-assembling peptide amphiphiles and related methods for growth factor delivery NORTHWESTERN UNIVERSITY (US) 2009-06-09 — — US disclosed
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