SCHEMBL7349627

SCHEMBL7349627

NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.48
XIAP P98170 4/20 0.47
ACE P12821 2/20 0.46
OPRD1 P41143 2/20 0.46
OPRK1 P41145 1/20 0.46
F2 P00734 1/20 0.46
PLG P00747 1/20 0.46
ACE2 Q9BYF1 1/20 0.45

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
SCHEMBL7349617 1.00 OPRM1 (0.48) OPRM1XIAPACEOPRD1OPRK1
SCHEMBL7356132 0.91 F2 (0.51) OPRM1ACEOPRD1OPRK1F2
SCHEMBL7356122 0.91 F2 (0.51) OPRM1ACEOPRD1OPRK1F2
SCHEMBL7348394 0.89 ELANE (0.46) OPRM1XIAPACEF2ACE2
SCHEMBL7380816 0.89 REN (0.48) OPRM1ACEF2ACE2
SCHEMBL7348938 0.89 CAPN1 (0.57) OPRM1XIAPOPRD1OPRK1
SCHEMBL7348952 0.89 CAPN1 (0.57) OPRM1XIAPOPRD1OPRK1
SCHEMBL7355087 0.85 ACE (0.60) ACEACE2
SCHEMBL7356337 0.83 ELANE (0.57) XIAP
SCHEMBL7348515 0.83 ELANE (0.57) XIAP

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