SCHEMBL3929908

SCHEMBL3929908

Fc1cc(F)cc(N2CCNCC2COc2cccnc2)c1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.59
CHRNB2 P17787 1/20 0.58
CHRNA4 P43681 1/20 0.58
KCNH2 Q12809 1/20 0.58

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
SCHEMBL3932361 0.93 CHRNA7 (0.55) CHRNA7CHRNB2CHRNA4KCNH2
SCHEMBL3934161 0.90 CHRNA7 (0.60) CHRNA7CHRNB2CHRNA4KCNH2
SCHEMBL3927284 0.86 CHRNA7 (0.63) CHRNA7CHRNB2CHRNA4KCNH2
SCHEMBL3929869 0.84 CHRNA7 (0.60) CHRNA7KCNH2
SCHEMBL3927133 0.83 CHRNA7 (0.60) CHRNA7CHRNB2CHRNA4KCNH2
SCHEMBL3934168 0.83 CHRNA7 (0.63) CHRNA7CHRNB2CHRNA4KCNH2
SCHEMBL3932381 0.83 CHRNA7 (0.60) CHRNA7CHRNB2CHRNA4KCNH2
SCHEMBL3932363 0.83 CHRNA7 (0.57) CHRNA7CHRNB2CHRNA4KCNH2
SCHEMBL3935984 0.83 CHRNA7 (0.57) CHRNA7CHRNB2CHRNA4KCNH2
SCHEMBL3940691 0.83 CHRNA7 (0.67) CHRNA7CHRNB2CHRNA4KCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044038-A2 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF Cornerstone Therapeutics Inc. (US) 2009-04-08 EP claimed
WO-2007146066-A2 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CRITICAL THERAPEUTICS, INC. (US) 2007-12-21 WO claimed
EP-2044038-A2 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF Cornerstone Therapeutics Inc. (US) 2009-04-08 EP disclosed
WO-2007146066-A2 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CRITICAL THERAPEUTICS, INC. (US) 2007-12-21 WO disclosed