SCHEMBL409652

SCHEMBL409652

O=C(O)NCC(NC(=O)Cn1nc(-c2ccc(Cl)cc2)n(CCC(F)(F)F)c1=O)c1ccccc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 19/20 0.61
AVPR1A P37288 19/20 0.61

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
SCHEMBL19265196 0.94 AVPR2 (0.63) AVPR2AVPR1A
SCHEMBL16673852 0.94 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL19265161 0.91 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL19265143 0.90 AVPR2 (0.60) AVPR2AVPR1A
SCHEMBL19265146 0.90 AVPR2 (0.58) AVPR2AVPR1A
SCHEMBL414387 0.90 AVPR2 (0.64) AVPR2AVPR1A
SCHEMBL19265154 0.89 AVPR2 (0.57) AVPR2AVPR1A
SCHEMBL19265157 0.89 AVPR2 (0.58) AVPR2AVPR1A
SCHEMBL19265156 0.89 AVPR2 (0.56) AVPR2AVPR1A
SCHEMBL414428 0.88 AVPR2 (0.78) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408751-B1 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER IP GMBH (DE) 2017-08-23 EP disclosed
EP-2408751-A1 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof Bayer Pharma Aktiengesellschaft (DE) 2012-01-25 EP disclosed
WO-2010105770-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-23 WO disclosed