SCHEMBL19265172

SCHEMBL19265172

NC(=O)OCCC(NC(=O)Cn1nc(-c2ccc(Cl)cc2)n(CCC(F)(F)F)c1=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 18/20 0.59
▸ AVPR1A P37288 18/20 0.59
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL3446893 0.93 AVPR2 (0.66) AVPR2AVPR1ATP53MAPT
SCHEMBL19265303 0.91 AVPR2 (0.54) AVPR2AVPR1ATP53MAPT
SCHEMBL19265289 0.90 AVPR2 (0.58) AVPR2AVPR1ATP53MAPT
SCHEMBL3447956 0.89 AVPR2 (0.74) AVPR2AVPR1A
SCHEMBL19265090 0.89 AVPR2 (0.59) AVPR2AVPR1ATP53MAPT
SCHEMBL19265107 0.88 AVPR2 (0.57) AVPR2AVPR1ATP53MAPT
SCHEMBL19265140 0.88 AVPR2 (0.60) AVPR2AVPR1ATP53MAPT
SCHEMBL19265159 0.87 AVPR2 (0.62) AVPR2AVPR1ATP53MAPT
SCHEMBL19265297 0.87 AVPR2 (0.62) AVPR2AVPR1A
SCHEMBL19265166 0.86 AVPR2 (0.65) 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-2408751-B1 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER IP GMBH (DE) 2017-08-23 — — EP disclosed
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