SCHEMBL18808908

SCHEMBL18808908

O=C(O)c1ccc(Cn2nc(-c3ccc(Cl)cc3)n(CCC(F)(F)F)c2=O)cc1-c1ccccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 18/20 0.52
AVPR1A P37288 18/20 0.52
PPARG P37231 1/20 0.41
SLC5A2 P31639 1/20 0.40

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
SCHEMBL18808722 0.93 AVPR2 (0.53) AVPR2AVPR1A
SCHEMBL18808996 0.92 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL18808623 0.91 AVPR2 (0.46) AVPR2AVPR1ASLC5A2
SCHEMBL18808732 0.89 AVPR2 (0.45) AVPR2AVPR1A
SCHEMBL6929026 0.87 AVPR2 (0.69) AVPR2AVPR1A
SCHEMBL18808904 0.84 AVPR2 (0.60) AVPR2AVPR1A
SCHEMBL18808898 0.82 AVPR2 (0.62) AVPR2AVPR1A
SCHEMBL18808863 0.82 AVPR2 (0.53) AVPR2AVPR1ASLC5A2
SCHEMBL18808581 0.81 AVPR2 (0.49) AVPR2AVPR1A
SCHEMBL6928396 0.80 AVPR2 (0.70) 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