SCHEMBL4049656

SCHEMBL4049656

CC(C)(C)[C@H](NC(=O)c1nn(CCCCC#N)c2ccc(Cl)cc12)C(=O)NC1CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.44
CNR2 P34972 4/20 0.44
F10 P00742 3/20 0.38
HTR3A P46098 3/20 0.37
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
HTR2A P28223 2/20 0.35
DRD3 P35462 2/20 0.35
KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL4051379 0.97 CNR1 (0.43) CNR1CNR2F10HTR3AJAK2
SCHEMBL4049686 0.91 CNR1 (0.45) CNR1CNR2F10HTR3A
SCHEMBL4053731 0.90 CNR1 (0.44) CNR1CNR2F10HTR3AKDM4C
SCHEMBL13690941 0.90 CNR1 (0.47) CNR1CNR2F10HTR3A
SCHEMBL4057565 0.88 CNR1 (0.43) CNR1CNR2HTR3A
SCHEMBL4051609 0.87 CNR1 (0.48) CNR1CNR2KDM4C
SCHEMBL13690956 0.87 CNR1 (0.48) CNR1CNR2KDM4C
SCHEMBL13690948 0.87 HTR3A (0.47) CNR1CNR2F10HTR3A
SCHEMBL4056091 0.86 CNR1 (0.59) CNR1CNR2
SCHEMBL4049934 0.86 CNR1 (0.45) CNR1CNR2JAK2JAK1JAK3

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
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO claimed
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed