SCHEMBL16350040

SCHEMBL16350040

CC(=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 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 2/20 0.39
▸ OPRM1 P35372 4/20 0.37
▸ OPRD1 P41143 4/20 0.37
▸ CAPN1 P07384 2/20 0.36
▸ CALCRL Q16602 2/20 0.35
▸ NMUR2 Q9GZQ4 3/20 0.35
▸ NMUR1 Q9HB89 3/20 0.35
▸ OPRK1 P41145 2/20 0.34

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
SCHEMBL16350002 0.83 OPRD1 (0.46) F2ROPRM1OPRD1NMUR2NMUR1
SCHEMBL13811938 0.78 NMUR2 (0.42) OPRD1NMUR2NMUR1
SCHEMBL15381927 0.69 RAMP3 (0.54) —
SCHEMBL13120983 0.68 REN (0.53) —
SCHEMBL15381913 0.68 RAMP3 (0.46) —
SCHEMBL29575782 0.68 OPRM1 (0.56) OPRM1OPRD1NMUR2NMUR1OPRK1
SCHEMBL31419999 0.67 NMUR2 (0.57) NMUR2NMUR1OPRK1
SCHEMBL31406967 0.66 OPRM1 (0.64) OPRM1OPRD1NMUR2NMUR1
SCHEMBL29594455 0.65 CAPN1 (0.50) F2RCAPN1NMUR2NMUR1
SCHEMBL30272477 0.64 ACE (0.47) F2RCAPN1

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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