SCHEMBL7437675

SCHEMBL7437675

CC(C)(C)C(=O)OCOC(=O)[C@@H](Cc1ccccc1)C[C@H](Cc1ccccc1)C(=O)NCCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.59
MME P08473 1/20 0.56
MMEL1 Q495T6 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
SCHEMBL10710869 1.00 ACE (0.59) ACEMMEMMEL1
SCHEMBL7432306 0.89 HRH4 (0.54) ACEMME
SCHEMBL7432294 0.89 HRH4 (0.54) ACEMME
SCHEMBL7444128 0.83 ACE (0.67) ACEMMEMMEL1
SCHEMBL7444122 0.83 ACE (0.67) ACEMMEMMEL1
SCHEMBL7383447 0.83 ACE (0.46) ACEMMEMMEL1
SCHEMBL7428482 0.82 CYP1A2 (0.51)
SCHEMBL7428489 0.82 CYP1A2 (0.51)
SCHEMBL7439441 0.81 PRKCA (0.44) MME
SCHEMBL9622053 0.81 PRKCA (0.44) MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5096925-A N-substituted butyramide derivatives CIBA-GEIGY CORPORATION (US) 1992-03-17 US disclosed
US-4939261-A ANALGESICS, ANTIDEPRESSANTS, HYPOTENSIVE AGENTS, NEUROLEPTIC AGENTS CIBA-GEIGY CORPORATION (US) 1990-07-03 US disclosed
EP-0185079-B1 N-SUBSTITUTED BUTYRAMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1988-10-19 EP disclosed
EP-0185079-A1 CIBA GEIGY AG 1986-06-25 EP disclosed
WO-1986000066-A1 N-SUBSTITUTED BUTYRAMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1986-01-03 WO disclosed