SCHEMBL3933306

SCHEMBL3933306

O=C(Nc1ccc(C(F)(F)F)cc1)N1CCNCC1COc1cccnc1

nearest known ligand 0.98

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.77
KCNH2 Q12809 1/20 0.76

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 SCHEMBL781126 0.99 KCNH2 (0.78) CHRNA7KCNH2
SCHEMBL778043 0.91 CHRNA7 (0.80) CHRNA7KCNH2
SCHEMBL779769 0.90 CHRNA7 (0.79) CHRNA7KCNH2
Hydrochloric Acid SCHEMBL778766 0.90 KCNH2 (0.81) CHRNA7KCNH2
SCHEMBL779277 0.90 CHRNA7 (0.81) CHRNA7KCNH2
Hydrochloric Acid SCHEMBL780248 0.90 KCNH2 (0.79) CHRNA7KCNH2
Hydrochloric Acid SCHEMBL780998 0.89 KCNH2 (0.82) CHRNA7KCNH2
SCHEMBL805051 0.89 CHRNA7 (0.83) CHRNA7KCNH2
SCHEMBL787295 0.89 CHRNA7 (0.83) CHRNA7KCNH2
SCHEMBL779657 0.89 CHRNA7 (0.82) 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 2 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