SCHEMBL3941973

SCHEMBL3941973

O=C(O)N1CCN(C(=O)Nc2ccc3ncsc3c2)C(COc2cccnc2)C1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.49
KCNH2 Q12809 1/20 0.48

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
SCHEMBL780997 0.89 CHRNA7 (0.47) CHRNA7KCNH2
SCHEMBL780811 0.85 CHRNA7 (0.69) CHRNA7KCNH2
SCHEMBL14346886 0.85 CHRNA7 (0.69) CHRNA7KCNH2
SCHEMBL15841980 0.84 CHRNA7 (0.58) CHRNA7KCNH2
SCHEMBL3939516 0.81 CHRNA7 (0.59) CHRNA7KCNH2
SCHEMBL3929838 0.80 CHRNA7 (0.67) CHRNA7KCNH2
SCHEMBL779491 0.74 CHRNA7 (0.46) CHRNA7KCNH2
SCHEMBL3934162 0.74 CHRNA7 (0.46) CHRNA7
SCHEMBL3930902 0.74 NPSR1 (0.48) CHRNA7
SCHEMBL780210 0.74 CHRNA7 (0.54) CHRNA7KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044038-B1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CORNERSTONE THERAPEUTICS INC (US) 2014-07-02 EP disclosed
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