SCHEMBL4050795

SCHEMBL4050795

CC(C)(C)[C@H](NC(=O)c1nn(CCCC#N)c2ccccc12)C(N)=O

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.80
CNR2 P34972 11/20 0.80
HTR3A P46098 2/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL4054847 0.97 CNR1 (0.78) CNR1CNR2HTR3AKDM4E
SCHEMBL4050224 0.89 CNR1 (0.64) CNR1CNR2HTR3AKDM4E
SCHEMBL29275142 0.89 CNR1 (1.00) CNR1CNR2HTR3AKDM4E
SCHEMBL30609587 0.89 CNR1 (1.00) CNR1CNR2HTR3AKDM4E
SCHEMBL13690931 0.88 CNR1 (0.64) CNR1CNR2HTR3AKDM4E
SCHEMBL4058671 0.88 CNR1 (0.64) CNR1CNR2HTR3AKDM4E
SCHEMBL16201697 0.88 CNR1 (0.94) CNR1CNR2HTR3AKDM4E
SCHEMBL13691279 0.88 CNR1 (0.83) CNR1CNR2HTR3AKDM4E
SCHEMBL4055519 0.87 CNR1 (0.79) CNR1CNR2HTR3AKDM4E
SCHEMBL4057865 0.87 CNR1 (0.60) CNR1CNR2HTR3AKDM4E

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