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SCHEMBL7348394

SCHEMBL7348394

O=C1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)NC(Cc2ccccc2)C(O)C(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.46
▸ XIAP P98170 5/20 0.46
▸ F2 P00734 1/20 0.46
▸ OPRM1 P35372 1/20 0.45
▸ ACE P12821 5/20 0.45
▸ ACE2 Q9BYF1 4/20 0.45
▸ CTSG P08311 1/20 0.45
▸ TACR1 P25103 1/20 0.45
▸ REN P00797 1/20 0.44
▸ CMA1 P23946 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
SCHEMBL7349617 0.89 OPRM1 (0.48) XIAPF2OPRM1ACEACE2
SCHEMBL7349627 0.89 OPRM1 (0.48) XIAPF2OPRM1ACEACE2
SCHEMBL7348515 0.88 ELANE (0.57) ELANEXIAPCTSGCMA1
SCHEMBL7356337 0.88 ELANE (0.57) ELANEXIAPCTSGCMA1
SCHEMBL7348523 0.88 ELANE (0.57) ELANEXIAPCTSGCMA1
SCHEMBL7356132 0.87 F2 (0.51) F2OPRM1ACEACE2TACR1
SCHEMBL7356122 0.87 F2 (0.51) F2OPRM1ACEACE2TACR1
SCHEMBL7380816 0.85 REN (0.48) ELANEF2OPRM1ACEACE2
SCHEMBL7355087 0.85 ACE (0.60) ACEACE2
SCHEMBL7348952 0.84 CAPN1 (0.57) XIAPOPRM1TACR1

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