SCHEMBL18808604

SCHEMBL18808604

O=c1n(Cc2cn(-c3ccccc3C(F)(F)F)nn2)nc(-c2ccc(Cl)cc2)n1CCC(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 14/20 0.62
AVPR1A P37288 14/20 0.62
TRPV1 Q8NER1 2/20 0.44
AMY1A P0DUB6 1/20 0.42
APP P05067 1/20 0.39
SLC5A2 P31639 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL18808968 0.91 AVPR2 (0.74) AVPR2AVPR1APTGS2
SCHEMBL18808850 0.88 AVPR2 (0.64) AVPR2AVPR1AAMY1ASLC5A2
SCHEMBL2439956 0.85 AVPR2 (0.84) AVPR2AVPR1A
SCHEMBL18808828 0.83 AVPR2 (0.52) AVPR2AVPR1AAMY1A
SCHEMBL18808721 0.78 AVPR2 (0.46) AVPR2AVPR1A
SCHEMBL18808889 0.77 AVPR2 (0.58) AVPR2AVPR1A
SCHEMBL24010779 0.77 AVPR2 (0.50) AVPR2AVPR1A
SCHEMBL19568127 0.77 AVPR2 (0.52) AVPR2AVPR1A
SCHEMBL18808707 0.77 AVPR2 (0.74) AVPR2AVPR1A
SCHEMBL6926677 0.77 AVPR2 (1.00) 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