SCHEMBL1381065

SCHEMBL1381065

COc1cccc(Cn2c(C(=O)NC3CCN(C(C)C)CC3)nc3c(C(=O)N4CC(O)C4)cccc32)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.61
DRD4 P21917 3/20 0.47
MCHR1 Q99705 3/20 0.41
SIGMAR1 Q99720 1/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
KCNH2 Q12809 1/20 0.40
BRD4 O60885 1/20 0.40
CCR3 P51677 1/20 0.40
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL3794052 0.89 F10 (0.66) F10DRD4MCHR1SIGMAR1JAK1
SCHEMBL1379384 0.89 F10 (0.66) F10DRD4MCHR1SIGMAR1JAK1
SCHEMBL1652652 0.85 F10 (0.69) F10DRD4MCHR1KCNH2BRD4
SCHEMBL3803431 0.82 CCR2 (0.45) F10
SCHEMBL1379748 0.81 F10 (0.57) F10
SCHEMBL3799822 0.79 F10 (0.62) F10DRD4MCHR1SIGMAR1JAK1
SCHEMBL1381476 0.79 F10 (0.62) F10DRD4MCHR1SIGMAR1JAK1
SCHEMBL1652651 0.79 F10 (0.69) F10DRD4MCHR1JAK1JAK3
SCHEMBL1383134 0.78 F10 (0.63) F10DRD4MCHR1SIGMAR1BRD4
SCHEMBL1381696 0.78 F10 (0.63) F10DRD4MCHR1SIGMAR1CCR3

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
JP-4658940-B2 2011-03-23 JP claimed