SCHEMBL4054847

SCHEMBL4054847

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

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.78
CNR2 P34972 11/20 0.78
HTR3A P46098 2/20 0.44
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL4050795 0.97 CNR1 (0.80) CNR1CNR2HTR3AKDM4E
SCHEMBL4058671 0.91 CNR1 (0.64) CNR1CNR2HTR3AKDM4E
SCHEMBL13690931 0.91 CNR1 (0.64) CNR1CNR2HTR3AKDM4E
SCHEMBL4049645 0.89 CNR1 (0.62) CNR1CNR2HTR3AKDM4E
SCHEMBL4059339 0.89 CNR1 (0.62) CNR1CNR2HTR3AKDM4E
SCHEMBL4053834 0.89 CNR1 (0.62) CNR1CNR2HTR3AKDM4E
SCHEMBL16201697 0.89 CNR1 (0.94) CNR1CNR2HTR3AKDM4E
SCHEMBL13691279 0.89 CNR1 (0.83) CNR1CNR2HTR3AKDM4E
SCHEMBL13691161 0.89 CNR1 (0.62) CNR1CNR2HTR3AKDM4E
SCHEMBL4057476 0.88 CNR1 (0.61) 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 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