SCHEMBL3934486

SCHEMBL3934486

COc1ccccc1-c1ccc(C(=O)N2CCNCC2COc2cccnc2)o1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.57
KCNH2 Q12809 1/20 0.57

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
Hydrochloric Acid SCHEMBL780515 0.99 KCNH2 (0.58) CHRNA7KCNH2
Hydrochloric Acid SCHEMBL780351 0.90 KCNH2 (0.57) CHRNA7KCNH2
SCHEMBL778605 0.89 CHRNA7 (0.54) CHRNA7KCNH2
Hydrochloric Acid SCHEMBL779444 0.89 KCNH2 (0.55) CHRNA7KCNH2
SCHEMBL777659 0.87 CHRNA7 (0.57) CHRNA7KCNH2
SCHEMBL780225 0.87 CHRNA7 (0.57) CHRNA7KCNH2
SCHEMBL778950 0.87 CHRNA7 (0.57) CHRNA7KCNH2
SCHEMBL780168 0.87 CHRNA7 (0.56) CHRNA7KCNH2
SCHEMBL779073 0.87 CHRNA7 (0.66) CHRNA7KCNH2
SCHEMBL779074 0.87 CHRNA7 (0.66) 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 claimed
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