SCHEMBL18808698

SCHEMBL18808698

O=c1n(Cc2nnc(Cc3ccccc3F)[nH]2)nc(-c2ccc(Cl)cc2)n1CC(O)C(F)(F)F

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 20/20 0.77
AVPR1A P37288 20/20 0.77

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
SCHEMBL15124760 1.00 AVPR2 (0.77) AVPR2AVPR1A
SCHEMBL6928049 1.00 AVPR2 (0.77) AVPR2AVPR1A
SCHEMBL18808957 0.92 AVPR2 (0.76) AVPR2AVPR1A
SCHEMBL6930237 0.92 AVPR2 (0.76) AVPR2AVPR1A
SCHEMBL6929342 0.92 AVPR2 (0.76) AVPR2AVPR1A
SCHEMBL15124716 0.91 AVPR2 (0.64) AVPR2AVPR1A
SCHEMBL6926788 0.91 AVPR2 (0.64) AVPR2AVPR1A
SCHEMBL6926784 0.88 AVPR2 (0.62) AVPR2AVPR1A
SCHEMBL6929262 0.86 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL6931091 0.86 AVPR2 (0.65) 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