SCHEMBL7278543

SCHEMBL7278543

CCCCOC(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 3/20 0.59
MME P08473 3/20 0.58
PSMB5 P28074 2/20 0.53
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
ECE1 P42892 1/20 0.52

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
SCHEMBL7278549 1.00 CAPN1 (0.59) CAPN1MMEPSMB5CTSLCTSB
SCHEMBL11123914 0.93 CTSL (0.54) CAPN1MMECTSLCTSB
SCHEMBL11123913 0.93 CTSL (0.54) CAPN1MMECTSLCTSB
SCHEMBL7266645 0.90 CAPN1 (0.62) CAPN1MMECTSLCTSBECE1
SCHEMBL7758997 0.88 ITGB3 (0.58) MMECTSL
SCHEMBL2185240 0.88 ITGB3 (0.58) MMECTSL
SCHEMBL844471 0.88 ITGB3 (0.58) MMECTSL
SCHEMBL21219280 0.87 CAPN1 (0.74) CAPN1MMECTSLCTSBECE1
SCHEMBL21219352 0.87 CAPN1 (0.74) CAPN1MMECTSLCTSBECE1
SCHEMBL21219351 0.87 CAPN1 (0.74) CAPN1MMECTSLCTSBECE1

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-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed
EP-0376012-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed