SCHEMBL16673776

SCHEMBL16673776

O=C(O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl

nearest known ligand 0.88

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 20/20 0.88
AVPR1A P37288 20/20 0.88

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
SCHEMBL15206554 0.94 AVPR2 (1.00) AVPR2AVPR1A
SCHEMBL15205913 0.94 AVPR2 (0.82) AVPR2AVPR1A
SCHEMBL412957 0.94 AVPR2 (0.83) AVPR2AVPR1A
SCHEMBL15206441 0.92 AVPR2 (0.82) AVPR2AVPR1A
SCHEMBL409114 0.91 AVPR2 (0.88) AVPR2AVPR1A
SCHEMBL15207129 0.90 AVPR2 (1.00) AVPR2AVPR1A
SCHEMBL16674223 0.89 AVPR2 (0.80) AVPR2AVPR1A
SCHEMBL256637 0.88 AVPR2 (0.89) AVPR2AVPR1A
SCHEMBL413062 0.88 AVPR2 (0.79) AVPR2AVPR1A
SCHEMBL16673964 0.88 AVPR2 (0.74) AVPR2AVPR1A

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
EP-2619188-B1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER IP GMBH (DE) 2015-05-06 EP disclosed