SCHEMBL7360191

SCHEMBL7360191

CN(CCc1ccccc1)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1N[C@@H]1C(=O)O.[NaH]

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.51
OPRD1 P41143 8/20 0.51
OPRK1 P41145 8/20 0.51
TACR1 P25103 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
RAB9A P51151 1/20 0.42
ACE P12821 2/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
ESRRG P62508 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL7363278 0.95 TACR1 (0.47) OPRM1OPRD1OPRK1TACR1RAB9A
SCHEMBL7360206 0.90 OPRM1 (0.49) OPRM1OPRD1OPRK1TACR1CTSL
SCHEMBL7357556 0.88 OPRM1 (0.47) OPRM1OPRD1OPRK1TACR1CTSL
SCHEMBL7363283 0.85 TACR1 (0.46) OPRM1OPRD1OPRK1TACR1RAB9A
SCHEMBL7361608 0.84 RAB9A (0.55) TACR1RAB9A
SCHEMBL7355167 0.83 KMT2A (0.46) TACR1RAB9AKDM4E
SCHEMBL7361103 0.82 TACR1 (0.44) OPRM1OPRD1OPRK1TACR1CTSL
SCHEMBL8307193 0.79 TACR1 (0.49) OPRM1OPRD1OPRK1TACR1RAB9A
SCHEMBL8308617 0.74 TACR1 (0.53) TACR1RAB9AMMP9
SCHEMBL7355177 0.74 KMT2A (0.44) TACR1RAB9AKDM4E

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-0753003-B1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-06-16 EP disclosed
US-5668128-A INHIBITORS OF THIOL PROTEASE, PROPHYLAXIS AND TREATMENT OF BONE DISEASES, OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-16 US disclosed
EP-0753003-A1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-01-15 EP disclosed
WO-1995028416-A1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-26 WO disclosed