SCHEMBL4772858

SCHEMBL4772858

Cc1ccnc(N2CCC(CCN)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.50
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
ENPP1 P22413 1/20 0.43
CHI3L1 P36222 1/20 0.43
KCNH2 Q12809 1/20 0.43
CHIA Q9BZP6 1/20 0.43
KARS1 Q15046 2/20 0.42
DRD4 P21917 1/20 0.42
PTPN11 Q06124 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
CDC42BPB Q9Y5S2 1/20 0.41
LCAT P04180 1/20 0.41
CCR1 P32246 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
Hydrochloric Acid SCHEMBL4432257 0.99 CHRM4 (0.49) CHRM4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2146764 0.82 CHRM4 (0.49) CHRM4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6030875 0.82 CHRM4 (0.47) CHRM4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15337848 0.79 GRIN2D (0.51) CHRM4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13622619 0.78 FFAR4 (0.54) CHRM4GPBAR1KDM4EMEN1HTT
SCHEMBL4429602 0.78 DRD2 (0.51) PTPN11KDM4E
SCHEMBL18949715 0.78 GRIN2D (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2130656 0.77 GRIN2D (0.50) CHRM4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24454255 0.77 GPBAR1 (0.47) CHRM4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL803608 0.77 LDHA (0.47) CHRM4ENPP1PTPN11ROCK2ROCK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572678-A4 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARM INC (US) 2008-05-07 EP disclosed
EP-1572678-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-09-14 EP disclosed
WO-2004056319-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC. (US) 2004-07-08 WO disclosed