SCHEMBL18808945

SCHEMBL18808945

O=c1n(Cc2nc(-c3cccc(Cl)c3Cl)no2)nc(-c2ccc(Cl)cc2)n1CC(O)C(F)(F)F

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 20/20 0.79
AVPR1A P37288 20/20 0.79

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
SCHEMBL6930031 1.00 AVPR2 (0.79) AVPR2AVPR1A
SCHEMBL2444734 0.93 AVPR2 (0.85) AVPR2AVPR1A
SCHEMBL2440534 0.89 AVPR2 (0.78) AVPR2AVPR1A
SCHEMBL6929470 0.89 AVPR2 (0.83) AVPR2AVPR1A
SCHEMBL2442308 0.89 AVPR2 (1.00) AVPR2AVPR1A
SCHEMBL2443852 0.87 AVPR2 (0.75) AVPR2AVPR1A
SCHEMBL2435249 0.87 AVPR2 (0.80) AVPR2AVPR1A
SCHEMBL2449437 0.85 AVPR2 (0.73) AVPR2AVPR1A
SCHEMBL6928558 0.84 AVPR2 (0.73) AVPR2AVPR1A
SCHEMBL2437246 0.83 AVPR2 (0.68) 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-2539326-B1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER IP GMBH (DE) 2017-05-03 EP disclosed