SCHEMBL7354571

SCHEMBL7354571

COC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.51
CMA1 P23946 13/20 0.51
KLK5 Q9Y337 1/20 0.50
CTRB1 P17538 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47

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
SCHEMBL28067688 0.87 ACE (0.56) ACECMA1KLK5CTRB1MEN1
SCHEMBL28067687 0.87 ACE (0.56) ACECMA1KLK5CTRB1MEN1
SCHEMBL21748404 0.87 CMA1 (0.63) ACECMA1KLK5CTRB1MEN1
SCHEMBL3165695 0.87 CMA1 (0.63) ACECMA1KLK5CTRB1MEN1
SCHEMBL3165688 0.87 CMA1 (0.63) ACECMA1KLK5CTRB1MEN1
SCHEMBL3825215 0.87 CMA1 (0.63) ACECMA1KLK5CTRB1MEN1
SCHEMBL7352708 0.86 F2 (0.61) ACECMA1KLK5F2PRSS1
SCHEMBL4452582 0.85 CMA1 (0.65) ACECMA1KLK5F2PRSS1
SCHEMBL7348141 0.84 MAPK1 (0.61) ACECMA1F2PRSS1
SCHEMBL30152222 0.83 CMA1 (0.59) ACECMA1CTRB1KMT2AOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993025574-A1 INHIBITORS OF ANGIOTENSIN I CHYMASE(S) INCLUDING HUMAN HEART CHYMASE PFIZER INC. (US) 1993-12-23 WO disclosed