SCHEMBL4013737

SCHEMBL4013737

O=C(Nc1ccc(-c2ccccc2)cc1)N1CCNCC1COc1cccnc1.O=C(Nc1ccc(Cc2ccccc2)cc1)N1CCNCC1COc1cccnc1

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.73
KCNH2 Q12809 1/20 0.72

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
SCHEMBL780789 0.97 CHRNA7 (0.77) CHRNA7KCNH2
Hydrochloric Acid SCHEMBL780096 0.96 KCNH2 (0.78) CHRNA7KCNH2
SCHEMBL779812 0.95 CHRNA7 (0.80) CHRNA7KCNH2
Hydrochloric Acid SCHEMBL779464 0.94 KCNH2 (0.80) CHRNA7KCNH2
SCHEMBL779657 0.90 CHRNA7 (0.82) CHRNA7KCNH2
Hydrochloric Acid SCHEMBL779348 0.89 KCNH2 (0.83) CHRNA7KCNH2
SCHEMBL779088 0.88 CHRNA7 (0.78) CHRNA7KCNH2
SCHEMBL14346797 0.88 CHRNA7 (0.78) CHRNA7KCNH2
SCHEMBL779570 0.88 CHRNA7 (0.77) CHRNA7KCNH2
SCHEMBL780363 0.88 CHRNA7 (0.83) 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