SCHEMBL28026987

SCHEMBL28026987

CC(=O)On1nc(-c2ccccc2Cl)nc1Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 20/20 0.75
AVPR1A P37288 20/20 0.75

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
SCHEMBL28026993 0.88 AVPR2 (0.76) AVPR2AVPR1A
SCHEMBL6928628 0.86 AVPR2 (0.84) AVPR2AVPR1A
SCHEMBL15132853 0.85 AVPR2 (1.00) AVPR2AVPR1A
SCHEMBL17512903 0.85 AVPR2 (0.73) AVPR2AVPR1A
SCHEMBL6929290 0.84 AVPR2 (0.82) AVPR2AVPR1A
SCHEMBL19034681 0.83 AVPR2 (0.75) AVPR2AVPR1A
SCHEMBL6928293 0.79 AVPR2 (0.86) AVPR2AVPR1A
SCHEMBL6928123 0.79 AVPR2 (1.00) AVPR2AVPR1A
SCHEMBL6930330 0.79 AVPR2 (1.00) AVPR2AVPR1A
SCHEMBL2444734 0.79 AVPR2 (0.85) 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
CN-103189363-B Biaryl linked aryl triazolones and uses thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-29 CN disclosed