SCHEMBL2225824

SCHEMBL2225824

N#Cc1ccc(N2CCC(CC(N)=O)CC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 4/20 0.53
CHRM4 P08173 5/20 0.52
JAK2 O60674 6/20 0.51
JAK3 P52333 6/20 0.51
JAK1 P23458 5/20 0.51
KCNH2 Q12809 5/20 0.51
DPP4 P27487 2/20 0.51
GPR119 Q8TDV5 1/20 0.50
USP30 Q70CQ3 2/20 0.49
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
DPP7 Q9UHL4 1/20 0.46

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
SCHEMBL30549291 1.00 PANK3 (0.53) PANK3CHRM4JAK2JAK3JAK1
SCHEMBL13622620 0.89 KCNH2 (0.55) PANK3CHRM4JAK2JAK3JAK1
SCHEMBL2225620 0.86 USP30 (0.49) PANK3CHRM4JAK2JAK3JAK1
SCHEMBL30549233 0.84 CHRM4 (0.52) PANK3CHRM4DPP4GPR119USP30
SCHEMBL26128171 0.84 CHRM4 (0.52) PANK3CHRM4DPP4GPR119USP30
SCHEMBL30549260 0.83 PARP1 (0.45) CHRM4USP30
Trifluoroacetic Acid SCHEMBL1023392 0.82 DPP4 (0.56) PANK3CHRM4KCNH2DPP4GPR119
SCHEMBL1729679 0.82 CHRM4 (0.48) PANK3CHRM4JAK2JAK3JAK1
SCHEMBL15652381 0.82 JAK2 (0.48) JAK2USP30
SCHEMBL1729285 0.81 CHRM4 (0.57) PANK3CHRM4JAK2JAK3JAK1

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-2523664-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
WO-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed