SCHEMBL7356122

SCHEMBL7356122

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.51
GAA P10253 1/20 0.50
REN P00797 2/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 1/20 0.46
GFER P55789 1/20 0.46
ACE P12821 7/20 0.46
ACE2 Q9BYF1 4/20 0.46
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
TACR1 P25103 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL7356132 1.00 F2 (0.51) F2GAARENATML3MBTL1
SCHEMBL7380816 0.93 REN (0.48) F2GAARENATML3MBTL1
SCHEMBL7349617 0.91 OPRM1 (0.48) F2ACEACE2OPRM1OPRD1
SCHEMBL7349627 0.91 OPRM1 (0.48) F2ACEACE2OPRM1OPRD1
SCHEMBL7348394 0.87 ELANE (0.46) F2RENACEACE2OPRM1
SCHEMBL7347204 0.86 OPRM1 (0.49) GAAACEACE2OPRM1OPRD1
SCHEMBL7348952 0.85 CAPN1 (0.57) OPRM1OPRD1OPRK1TACR1
SCHEMBL7348938 0.85 CAPN1 (0.57) OPRM1OPRD1OPRK1TACR1
SCHEMBL7352316 0.83 F2 (0.59) F2RENACE
SCHEMBL7352303 0.83 F2 (0.59) F2RENACE

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