SCHEMBL6642136

SCHEMBL6642136

CCN(CC)CCNc1[c]cccc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.39
PIM1 P11309 1/20 0.39
IDO1 P14902 1/20 0.39
LTK P29376 1/20 0.39
LIMK1 P53667 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
FLT3 P36888 2/20 0.36
KAT2B Q92831 1/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL6634986 0.84 TAAR1 (0.40) FLT3KAT2BKDM4EHSD17B10MEN1
SCHEMBL7447378 0.82 TRPA1 (0.36) IDO1MEN1KMT2A
SCHEMBL6639584 0.78 NPC1 (0.40) FLT3KDM4EKMT2A
SCHEMBL4600275 0.78 TRPA1 (0.33)
SCHEMBL10798671 0.73 CHEK1 (0.54) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL6637171 0.73 KDM4E (0.30) KDM4EHSD17B10
SCHEMBL3123233 0.72 CHEK1 (0.45) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL4899544 0.71 CHEK1 (0.41) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL4598872 0.70 RAB9A (0.35) KDM4ELMNAHTTMEN1KMT2A
SCHEMBL2182874 0.69 CHEK1 (0.41) CHEK1PIM1IDO1LTKLIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165557-B1 ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS NEUROGEN CORP (US) 2004-09-29 EP disclosed