SCHEMBL7361608

SCHEMBL7361608

CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1N[C@@H]1C(=O)O.[NaH]

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.55
TACR1 P25103 8/20 0.51
HPGD P15428 1/20 0.50

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 0.89 TACR1 (0.47) RAB9ATACR1
SCHEMBL7353122 0.89 RAB9A (0.53) RAB9ATACR1HPGD
SCHEMBL7364215 0.86 RAB9A (0.51) RAB9ATACR1HPGD
SCHEMBL8308617 0.85 TACR1 (0.53) RAB9ATACR1
SCHEMBL7360191 0.84 OPRM1 (0.51) RAB9ATACR1
SCHEMBL7355167 0.82 KMT2A (0.46) RAB9ATACR1
SCHEMBL8307193 0.80 TACR1 (0.49) RAB9ATACR1
SCHEMBL7361179 0.78 MME (0.53)
SCHEMBL7363283 0.78 TACR1 (0.46) RAB9ATACR1
SCHEMBL7355198 0.77 MEN1 (0.55)

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