SCHEMBL27865876

SCHEMBL27865876

C=C=C(CCC(F)(F)F)n1c(-c2ccc(Cl)cc2)nn(CC(=O)NC(COC(=O)NCC)c2ccccc2C(F)(F)F)c1=O

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 19/20 0.48
▸ AVPR1A P37288 19/20 0.48
▸ MAPT P10636 1/20 0.35

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
SCHEMBL3447265 0.86 AVPR2 (0.57) AVPR2AVPR1A
SCHEMBL3446657 0.82 AVPR2 (0.51) AVPR2AVPR1AMAPT
SCHEMBL3447200 0.82 AVPR2 (0.71) AVPR2AVPR1A
SCHEMBL3446660 0.82 AVPR2 (0.51) AVPR2AVPR1AMAPT
SCHEMBL3446915 0.76 AVPR2 (0.63) AVPR2AVPR1A
SCHEMBL27848981 0.76 AVPR2 (0.42) AVPR2AVPR1AMAPT
SCHEMBL19265212 0.75 AVPR2 (0.64) AVPR2AVPR1A
SCHEMBL12522532 0.75 AVPR2 (0.64) AVPR2AVPR1A
SCHEMBL27862521 0.74 AVPR2 (0.41) AVPR2AVPR1A
SCHEMBL10218013 0.73 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102438990-A Substituted 2-acetamido-5-aryl-1, 2, 4-triazolones and use thereof BAYER SCHERING PHARMA AG 2012-05-02 — — CN disclosed
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