SCHEMBL413062

SCHEMBL413062

O=C(O)NCC(NC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(Cl)c1Cl

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 20/20 0.79
AVPR1A P37288 20/20 0.79

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
SCHEMBL15205913 0.94 AVPR2 (0.82) AVPR2AVPR1A
SCHEMBL412957 0.94 AVPR2 (0.83) AVPR2AVPR1A
SCHEMBL3446503 0.94 AVPR2 (0.79) AVPR2AVPR1A
SCHEMBL414015 0.93 AVPR2 (0.71) AVPR2AVPR1A
SCHEMBL381351 0.92 AVPR2 (0.88) AVPR2AVPR1A
SCHEMBL19265294 0.91 AVPR2 (0.72) AVPR2AVPR1A
SCHEMBL10217434 0.90 AVPR2 (0.71) AVPR2AVPR1A
SCHEMBL382195 0.90 AVPR2 (0.71) AVPR2AVPR1A
SCHEMBL414428 0.90 AVPR2 (0.78) AVPR2AVPR1A
Hydrochloric Acid SCHEMBL3447973 0.90 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 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