SCHEMBL13158485

SCHEMBL13158485

O=C(Cn1nc(-c2ccccc2)n(C[C@H](O)C(F)(F)F)c1=O)NC(CCO)c1cccc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 18/20 0.64
▸ AVPR1A P37288 18/20 0.64
▸ PDE2A O00408 1/20 0.41

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
SCHEMBL19265141 0.93 AVPR2 (0.75) AVPR2AVPR1A
SCHEMBL3447408 0.93 AVPR2 (0.75) AVPR2AVPR1A
SCHEMBL419513 0.86 AVPR2 (0.77) AVPR2AVPR1A
SCHEMBL420009 0.86 AVPR2 (0.74) AVPR2AVPR1A
SCHEMBL3447913 0.86 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL408829 0.84 AVPR2 (0.81) AVPR2AVPR1A
SCHEMBL10217399 0.84 AVPR2 (0.76) AVPR2AVPR1A
SCHEMBL10130118 0.83 AVPR2 (0.72) AVPR2AVPR1A
Hydrochloric Acid SCHEMBL3446983 0.83 AVPR2 (0.75) AVPR2AVPR1A
SCHEMBL19244859 0.83 AVPR2 (0.69) 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
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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