SCHEMBL8308617

SCHEMBL8308617

CN(Cc1cccc2ccccc12)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1N[C@@H]1C(=O)O.[Na]

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.53
METAP2 P50579 3/20 0.48
MMP9 P14780 1/20 0.44
NLN Q9BYT8 2/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL8307193 0.94 TACR1 (0.49) TACR1METAP2MMP9NLNRAB9A
SCHEMBL7363741 0.91 TACR1 (0.52) TACR1METAP2MMP9NLNRAB9A
SCHEMBL7354811 0.88 TACR1 (0.50) TACR1METAP2MMP9NLNRAB9A
SCHEMBL7361608 0.85 RAB9A (0.55) TACR1RAB9A
SCHEMBL7361754 0.84 TACR1 (0.47) TACR1METAP2MMP9NLN
SCHEMBL7359125 0.82 TACR1 (0.45) TACR1METAP2MMP9NLN
SCHEMBL8305264 0.81 PSMB5 (0.47)
SCHEMBL7363278 0.79 TACR1 (0.47) TACR1MMP9RAB9A
SCHEMBL7353122 0.77 RAB9A (0.53) TACR1RAB9A
SCHEMBL8309499 0.75 MEN1 (0.58) RAB9A

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 2 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