SCHEMBL18808587

SCHEMBL18808587

O=c1n(Cc2ncc(-c3cccc(Cl)c3F)s2)nc(-c2ccc(Cl)cc2)n1CCC(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 20/20 0.65
AVPR1A P37288 20/20 0.65

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
SCHEMBL18808606 0.92 AVPR2 (0.75) AVPR2AVPR1A
SCHEMBL18808847 0.92 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL18808888 0.87 AVPR2 (0.63) AVPR2AVPR1A
SCHEMBL6926637 0.87 AVPR2 (0.86) AVPR2AVPR1A
SCHEMBL18808546 0.79 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL18808890 0.79 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL18808841 0.79 AVPR2 (0.63) AVPR2AVPR1A
SCHEMBL6930126 0.79 AVPR2 (0.78) AVPR2AVPR1A
SCHEMBL6929353 0.79 AVPR2 (1.00) AVPR2AVPR1A
SCHEMBL18808893 0.78 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-2539326-B1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER IP GMBH (DE) 2017-05-03 EP disclosed