SCHEMBL7347378

SCHEMBL7347378

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

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
ACE P12821 5/20 0.47
ACE2 Q9BYF1 4/20 0.47
XIAP P98170 5/20 0.47
CAPN1 P07384 1/20 0.46
TACR1 P25103 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
SCHEMBL6701580 1.00 OPRM1 (0.48) OPRM1OPRD1OPRK1ACEACE2
SCHEMBL7347204 0.93 OPRM1 (0.49) OPRM1OPRD1OPRK1ACEACE2
SCHEMBL7348938 0.88 CAPN1 (0.57) OPRM1OPRD1OPRK1XIAPCAPN1
SCHEMBL7348952 0.88 CAPN1 (0.57) OPRM1OPRD1OPRK1XIAPCAPN1
SCHEMBL7380816 0.86 REN (0.48) OPRM1ACEACE2TACR1
SCHEMBL7355087 0.83 ACE (0.60) ACEACE2
SCHEMBL7356337 0.83 ELANE (0.57) XIAP
SCHEMBL7348523 0.83 ELANE (0.57) XIAP
SCHEMBL7348515 0.83 ELANE (0.57) XIAP
SCHEMBL7356132 0.82 F2 (0.51) OPRM1OPRD1OPRK1ACEACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0644892-A1 INHIBITORS OF ANGIOTENSIN I CHYMASE(S) INCLUDING HUMAN HEART CHYMASE PFIZER INC. (US) 1995-03-29 EP claimed
WO-1993025574-A1 INHIBITORS OF ANGIOTENSIN I CHYMASE(S) INCLUDING HUMAN HEART CHYMASE PFIZER INC. (US) 1993-12-23 WO claimed
EP-0644892-A1 INHIBITORS OF ANGIOTENSIN I CHYMASE(S) INCLUDING HUMAN HEART CHYMASE PFIZER INC. (US) 1995-03-29 EP disclosed
WO-1993025574-A1 INHIBITORS OF ANGIOTENSIN I CHYMASE(S) INCLUDING HUMAN HEART CHYMASE PFIZER INC. (US) 1993-12-23 WO disclosed