SCHEMBL19265121

SCHEMBL19265121

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

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 18/20 0.60
▸ AVPR1A P37288 18/20 0.60
▸ MAPT P10636 2/20 0.42
▸ THRB P10828 1/20 0.42

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
SCHEMBL1441282 0.89 AVPR2 (0.62) AVPR2AVPR1A
SCHEMBL19265199 0.89 AVPR2 (0.61) AVPR2AVPR1A
SCHEMBL13158418 0.86 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL19265324 0.84 AVPR2 (0.66) AVPR2AVPR1AMAPT
SCHEMBL19265163 0.84 AVPR2 (0.57) AVPR2AVPR1A
SCHEMBL19265187 0.83 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL19265288 0.82 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL19265147 0.82 AVPR2 (0.67) AVPR2AVPR1A
SCHEMBL19265171 0.82 AVPR2 (0.65) AVPR2AVPR1AMAPT
SCHEMBL19265165 0.82 AVPR2 (0.67) AVPR2AVPR1AMAPT

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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