SCHEMBL3939398

SCHEMBL3939398

COc1ccc(OCC2CNCCN2C(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.72
KCNH2 Q12809 1/20 0.70

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
SCHEMBL779917 1.00 CHRNA7 (0.72) CHRNA7KCNH2
Hydrochloric Acid SCHEMBL779636 0.99 KCNH2 (0.72) CHRNA7KCNH2
Hydrochloric Acid SCHEMBL779395 0.99 KCNH2 (0.72) CHRNA7KCNH2
SCHEMBL788214 0.95 CHRNA7 (0.78) CHRNA7KCNH2
SCHEMBL3931233 0.95 CHRNA7 (0.63) CHRNA7KCNH2
Hydrochloric Acid SCHEMBL780443 0.94 KCNH2 (0.64) CHRNA7KCNH2
Hydrochloric Acid SCHEMBL781209 0.94 KCNH2 (0.79) CHRNA7KCNH2
SCHEMBL3932590 0.91 CHRNA7 (0.79) CHRNA7KCNH2
Hydrochloric Acid SCHEMBL781424 0.90 KCNH2 (0.79) CHRNA7KCNH2
SCHEMBL780387 0.88 CHRNA7 (0.75) 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