SCHEMBL8529458

SCHEMBL8529458

N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.51
OPRM1 P35372 7/20 0.51
OPRK1 P41145 7/20 0.51
OPRD1 P41143 1/20 0.49
EPHA2 P29317 2/20 0.49
NMUR2 Q9GZQ4 1/20 0.49
NMUR1 Q9HB89 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
SCHEMBL11600367 1.00 F2 (0.51) F2OPRM1OPRK1OPRD1EPHA2
SCHEMBL11358432 0.95 F2 (0.48) F2OPRM1OPRK1OPRD1EPHA2
4-Nitroaniline SCHEMBL27635238 0.89 OPRM1 (0.46) F2OPRM1OPRK1OPRD1EPHA2
SCHEMBL30693083 0.88 F2 (0.58) F2OPRM1OPRK1OPRD1EPHA2
SCHEMBL11338965 0.87 OPRM1 (0.49) OPRM1OPRK1OPRD1EPHA2NMUR2
SCHEMBL27635235 0.87 OPRM1 (0.46) F2OPRM1OPRK1OPRD1EPHA2
Hydrochloric Acid SCHEMBL11328634 0.86 OPRM1 (0.49) OPRM1OPRK1OPRD1EPHA2NMUR2
SCHEMBL5704652 0.86 FKBP4 (0.48) OPRM1OPRK1OPRD1
SCHEMBL29934589 0.86 OPRM1 (0.58) F2OPRM1OPRK1OPRD1EPHA2
SCHEMBL30782709 0.86 OPRM1 (0.62) F2OPRM1OPRK1OPRD1EPHA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0827539-A2 KUNITZ TYPE PROTEASE INHIBITORS SCIOS INC. (US) 1998-03-11 EP disclosed
WO-1996035788-A2 KUNITZ TYPE PROTEASE INHIBITORS SCIOS, INC. (US) 1996-11-14 WO disclosed
US-4372941-A FOR PRESENCE OF HYDROLYTIC ENZYMES UNIVERSITY OF MIAMI 1983-02-08 US disclosed
US-4115374-A IODO-P-HYDROXYPHENYL-GLYCYLGLYCINE RYAN JAMES WALTER 1978-09-19 US disclosed