SCHEMBL18808692

SCHEMBL18808692

O=c1n(Cc2cccc(-c3cccc(Cl)c3Cl)c2)nc(-c2ccc(Cl)cc2)n1CCC(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 20/20 0.64
AVPR1A P37288 20/20 0.64

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
SCHEMBL18808543 0.90 AVPR2 (0.64) AVPR2AVPR1A
SCHEMBL18808976 0.88 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL18808844 0.86 AVPR2 (0.55) AVPR2AVPR1A
SCHEMBL18808548 0.86 AVPR2 (0.62) AVPR2AVPR1A
SCHEMBL18808547 0.85 AVPR2 (0.66) AVPR2AVPR1A
SCHEMBL6929401 0.85 AVPR2 (0.88) AVPR2AVPR1A
SCHEMBL18808869 0.84 AVPR2 (0.67) AVPR2AVPR1A
SCHEMBL18808822 0.84 AVPR2 (0.56) AVPR2AVPR1A
SCHEMBL18808723 0.83 AVPR2 (0.75) AVPR2AVPR1A
SCHEMBL18808864 0.83 AVPR2 (0.59) 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