SCHEMBL18808581

SCHEMBL18808581

O=c1n(Cc2cc(F)cc(-c3ccccc3C(F)(F)F)c2)nc(-c2ccc(Cl)cc2)n1CCC(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 18/20 0.49
AVPR1A P37288 18/20 0.49
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39

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
SCHEMBL18808864 0.91 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL6929263 0.85 AVPR2 (0.68) AVPR2AVPR1A
SCHEMBL18808548 0.85 AVPR2 (0.62) AVPR2AVPR1A
SCHEMBL18808898 0.83 AVPR2 (0.62) AVPR2AVPR1A
SCHEMBL18808876 0.82 AVPR2 (0.51) AVPR2AVPR1A
SCHEMBL18808900 0.81 AVPR2 (0.58) AVPR2AVPR1A
SCHEMBL18808908 0.81 AVPR2 (0.52) AVPR2AVPR1A
SCHEMBL18808722 0.81 AVPR2 (0.53) AVPR2AVPR1A
SCHEMBL18808889 0.81 AVPR2 (0.58) AVPR2AVPR1A
SCHEMBL18808537 0.80 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