SCHEMBL3940335

SCHEMBL3940335

Cc1ccc2nc(NC(=O)N3CCNCC3COc3cccnc3)sc2c1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.62
KCNH2 Q12809 1/20 0.61

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 SCHEMBL778862 0.99 KCNH2 (0.62) CHRNA7KCNH2
SCHEMBL779030 0.92 CHRNA7 (0.70) CHRNA7KCNH2
Hydrochloric Acid SCHEMBL779532 0.91 KCNH2 (0.70) CHRNA7KCNH2
SCHEMBL780359 0.91 CHRNA7 (0.59) CHRNA7KCNH2
SCHEMBL778287 0.91 CHRNA7 (0.59) CHRNA7KCNH2
Hydrochloric Acid SCHEMBL778661 0.90 KCNH2 (0.60) CHRNA7KCNH2
Hydrochloric Acid SCHEMBL780603 0.90 KCNH2 (0.60) CHRNA7KCNH2
SCHEMBL779728 0.90 CHRNA7 (0.64) CHRNA7KCNH2
Hydrochloric Acid SCHEMBL1775595 0.89 KCNH2 (0.64) CHRNA7KCNH2
SCHEMBL12210164 0.87 CHRNA7 (0.52) CHRNA7

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