SCHEMBL19265169

SCHEMBL19265169

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

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 17/20 0.56
▸ AVPR1A P37288 17/20 0.56
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL19265281 0.89 AVPR2 (0.60) AVPR2AVPR1ATP53MAPT
SCHEMBL3446947 0.88 AVPR2 (0.72) AVPR2AVPR1A
SCHEMBL3446949 0.88 AVPR2 (0.72) AVPR2AVPR1A
SCHEMBL3446952 0.88 AVPR2 (0.72) AVPR2AVPR1A
SCHEMBL19265280 0.86 AVPR2 (0.61) AVPR2AVPR1A
SCHEMBL3446893 0.82 AVPR2 (0.66) AVPR2AVPR1ATP53MAPT
SCHEMBL19265172 0.81 AVPR2 (0.59) AVPR2AVPR1ATP53MAPT
SCHEMBL4493699 0.79 AVPR2 (0.59) AVPR2AVPR1ATP53MAPT
SCHEMBL8235953 0.79 AVPR2 (0.59) AVPR2AVPR1ATP53MAPT
SCHEMBL3986162 0.79 AVPR2 (0.61) AVPR2AVPR1ATP53MAPT

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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