SCHEMBL7348952

SCHEMBL7348952

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

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 4/20 0.57
OPRM1 P35372 2/20 0.51
XIAP P98170 4/20 0.50
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
TACR1 P25103 1/20 0.49
TRHR P34981 1/20 0.48

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
SCHEMBL7348938 1.00 CAPN1 (0.57) CAPN1OPRM1XIAPOPRD1OPRK1
SCHEMBL7347204 0.90 OPRM1 (0.49) CAPN1OPRM1XIAPOPRD1OPRK1
SCHEMBL7349617 0.89 OPRM1 (0.48) OPRM1XIAPOPRD1OPRK1
SCHEMBL7349627 0.89 OPRM1 (0.48) OPRM1XIAPOPRD1OPRK1
SCHEMBL6701580 0.88 OPRM1 (0.48) CAPN1OPRM1XIAPOPRD1OPRK1
SCHEMBL7347378 0.88 OPRM1 (0.48) CAPN1OPRM1XIAPOPRD1OPRK1
SCHEMBL7355087 0.88 ACE (0.60)
SCHEMBL7348515 0.88 ELANE (0.57) XIAP
SCHEMBL7356337 0.88 ELANE (0.57) XIAP
SCHEMBL7348523 0.88 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