SCHEMBL7107699

SCHEMBL7107699

CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](Cc1cn(P(=O)(O)O)c2ccccc12)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.39
ECE1 P42892 3/20 0.38
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
ABCC2 Q92887 1/20 0.38
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
GNRHR P30968 1/20 0.38
ERAP2 Q6P179 1/20 0.38

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
SCHEMBL7107828 0.87 ECE1 (0.38) ECE1MMEACEEDNRBEDNRA
SCHEMBL7111230 0.84 MME (0.38) ECE1MMEACEEDNRBEDNRA
SCHEMBL9818557 0.80 PSMB5 (0.50) MME
SCHEMBL9651627 0.80 PSMB5 (0.50) MME
SCHEMBL7107780 0.80 ECE1 (0.44) ECE1MMEACEERAP2
SCHEMBL7106067 0.79 ITGB1 (0.40) ECE1MME
SCHEMBL7111472 0.78 ALDH1A1 (0.46) ECE1MMEERAP2
SCHEMBL7697199 0.77 MME (0.43) MMEERAP2
SCHEMBL31199181 0.77 NTSR2 (0.44)
SCHEMBL26508387 0.77 NTSR2 (0.44)

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-1019434-B1 INHIBITORS OF METALLOPROTEINASES, THEIR THERAPEUTIC USE, AND PROCESS FOR THE PRODUCTION OF THE STARTING COMPOUND IN THEIR SYNTHESIS POLIFARMA SPA (IT) 2003-10-01 EP disclosed
US-6339160-B1 FOR THERAPY OF TUMORAL GROWTH AND METASTATIZATION, ATEROSCLEROSIS, MULTIPLE SCLEROSIS, ALZHEIMER'S DISEASE, OSTEOPOROSIS, HYPERTENSION, RHEUMATOID ARTHRITIS AND OTHER INFLAMMATORY DISEASES POLIFARMA S.P.A. (IT) 2002-01-15 US disclosed
EP-1019434-A2 INHIBITORS OF METALLOPROTEINASES, THEIR THERAPEUTIC USE, AND PROCESS FOR THE PRODUCTION OF THE STARTING COMPOUND IN THEIR SYNTHESIS POLIFARMA S.p.A. (IT) 2000-07-19 EP disclosed
WO-1999003878-A2 INHIBITORS OF METALLOPROTEINASES, THEIR THERAPEUTIC USE, AND PROCESS FOR THE PRODUCTION OF THE STARTING COMPOUND IN THEIR SYNTHESIS POLIFARMA S.P.A. (IT) 1999-01-28 WO disclosed