SCHEMBL18808602

SCHEMBL18808602

O=c1n(Cc2cnn(-c3ccccc3Cl)c2)nc(-c2ccc(Cl)cc2)n1CCC(F)(F)F

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 18/20 0.74
AVPR1A P37288 18/20 0.74
CNR1 P21554 2/20 0.44

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
SCHEMBL2442560 0.85 AVPR2 (1.00) AVPR2AVPR1A
SCHEMBL18808968 0.84 AVPR2 (0.74) AVPR2AVPR1ACNR1
SCHEMBL18808707 0.80 AVPR2 (0.74) AVPR2AVPR1ACNR1
SCHEMBL18808548 0.79 AVPR2 (0.62) AVPR2AVPR1A
SCHEMBL19568220 0.78 AVPR2 (0.59) AVPR2AVPR1ACNR1
SCHEMBL18808850 0.77 AVPR2 (0.64) AVPR2AVPR1ACNR1
SCHEMBL18808864 0.76 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL19568116 0.76 AVPR2 (0.58) AVPR2AVPR1ACNR1
SCHEMBL19575138 0.76 AVPR2 (0.58) AVPR2AVPR1ACNR1
SCHEMBL19568169 0.76 AVPR2 (0.58) AVPR2AVPR1ACNR1

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