SCHEMBL4019036

SCHEMBL4019036

Cc1nc(N2CCN(C(=O)O)CC2COc2cccnc2)oc1C(=O)NCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.40
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
KCNH2 Q12809 1/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNB3 Q05901 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SCD O00767 1/20 0.38

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
SCHEMBL780792 0.91 NAMPT (0.42) CHRNA7TP53SMN1; SMN2
SCHEMBL780239 0.86 CHRNA7 (0.57) CHRNA7CHRNB2CHRNA4KCNH2
Hydrochloric Acid SCHEMBL780952 0.85 CHRNA7 (0.57) CHRNA7CHRNB2CHRNA4KCNH2
SCHEMBL3940090 0.78 CHRNA7 (0.47) CHRNA7CHRNB2CHRNA4KCNH2CHRNA1
SCHEMBL3926764 0.77 CHRNA7 (0.66) CHRNA7CHRNB2CHRNA4KCNH2CHRNA1
SCHEMBL779905 0.76 GPR119 (0.44) CHRNA7CHRNB2CHRNA4KCNH2CHRNA1
SCHEMBL3939380 0.71 CHRNA7 (0.42) CHRNA7CHRNB2CHRNA4CHRNA1CHRNB1
SCHEMBL780438 0.70 CHRNA7 (0.47) CHRNA7GAACHRNB2CHRNA4KCNH2
SCHEMBL3930902 0.69 NPSR1 (0.48) CHRNA7CHRNB2CHRNA4CHRNA1CHRNB1
SCHEMBL15841980 0.68 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