SCHEMBL3930883

SCHEMBL3930883

O=C(c1coc(-c2cccc(Cl)c2)n1)N1CCNCC1COc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.51

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 SCHEMBL780360 0.99 KCNH2 (0.52)
SCHEMBL3934055 0.91 CHRNA7 (0.51) CHRNA7
SCHEMBL781326 0.91 CHRNA7 (0.53) CHRNA7
SCHEMBL780737 0.90 CHRNA7 (0.56) CHRNA7
Hydrochloric Acid SCHEMBL782604 0.90 KCNH2 (0.54) CHRNA7
Hydrochloric Acid SCHEMBL781238 0.90 KCNH2 (0.52)
Hydrochloric Acid SCHEMBL780545 0.90 KCNH2 (0.56) CHRNA7
Hydrochloric Acid SCHEMBL778235 0.88 KCNH2 (0.50)
SCHEMBL779681 0.86 CHRNA7 (0.55) CHRNA7
SCHEMBL15841889 0.86 CHRNA7 (0.53) 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 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