SCHEMBL3934293

SCHEMBL3934293

Cc1ccc(NC(=O)N2CCN(C(=O)O)CC2CCc2cccnc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
FAAH O00519 2/20 0.44
CHRNA7 P36544 2/20 0.43
NAMPT P43490 4/20 0.42
KCNH2 Q12809 1/20 0.42
GRIN2B Q13224 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL779385 0.88 NAMPT (0.43) SMN1; SMN2CHRNA7NAMPTKCNH2MAPT
SCHEMBL3933614 0.82 CHRNA7 (0.54) SMN1; SMN2CHRNA7NAMPTKCNH2GRIN2B
SCHEMBL780140 0.82 CHRNA7 (0.61) CHRNA7KCNH2
Hydrochloric Acid SCHEMBL779438 0.81 KCNH2 (0.61) CHRNA7KCNH2
SCHEMBL3932432 0.76 CHRNA7 (0.54) FAAHCHRNA7KCNH2MAPTRAB9A
SCHEMBL3929838 0.74 CHRNA7 (0.67) CHRNA7KCNH2
SCHEMBL15841980 0.74 CHRNA7 (0.58) CHRNA7KCNH2
SCHEMBL778271 0.73 CHRNA7 (0.74) CHRNA7KCNH2
SCHEMBL3939516 0.73 CHRNA7 (0.59) CHRNA7KCNH2
SCHEMBL779797 0.72 CHRNA7 (0.58) 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 disclosed
WO-2007146066-A2 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CRITICAL THERAPEUTICS, INC. (US) 2007-12-21 WO disclosed