SCHEMBL13158418

SCHEMBL13158418

NC(=O)OCCC(NC(=O)Cn1nc(-c2ccc(Cl)cc2)n(CCC(F)(F)F)c1=O)c1ccccc1F

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 20/20 0.65
▸ AVPR1A P37288 20/20 0.65

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
SCHEMBL19265297 0.92 AVPR2 (0.62) AVPR2AVPR1A
SCHEMBL19265180 0.91 AVPR2 (0.61) AVPR2AVPR1A
SCHEMBL19265166 0.91 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL19265199 0.89 AVPR2 (0.61) AVPR2AVPR1A
SCHEMBL3446507 0.89 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL19265121 0.86 AVPR2 (0.60) AVPR2AVPR1A
SCHEMBL19265334 0.86 AVPR2 (0.71) AVPR2AVPR1A
SCHEMBL19265172 0.86 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL19265335 0.85 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL3446915 0.85 AVPR2 (0.63) 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 2 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
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
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