SCHEMBL4048713

SCHEMBL4048713

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

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.62
CNR2 P34972 10/20 0.62
HTR3A P46098 4/20 0.40
KDM4E B2RXH2 1/20 0.39
CFD P00746 1/20 0.37

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
SCHEMBL13690663 0.97 CNR1 (0.64) CNR1CNR2HTR3AKDM4ECFD
SCHEMBL4053880 0.91 CNR1 (0.67) CNR1CNR2HTR3AKDM4ECFD
SCHEMBL13690586 0.89 CNR1 (0.67) CNR1CNR2HTR3AKDM4ECFD
SCHEMBL4048314 0.89 CNR1 (0.58) CNR1CNR2HTR3AKDM4E
SCHEMBL13691097 0.88 CNR1 (0.47) CNR1CNR2CFD
SCHEMBL4059339 0.88 CNR1 (0.62) CNR1CNR2HTR3AKDM4ECFD
SCHEMBL4053834 0.88 CNR1 (0.62) CNR1CNR2HTR3AKDM4ECFD
SCHEMBL4050224 0.87 CNR1 (0.64) CNR1CNR2HTR3AKDM4ECFD
SCHEMBL13691142 0.86 CNR1 (0.80) CNR1CNR2HTR3AKDM4E
SCHEMBL13690714 0.85 CNR1 (0.48) CNR1CNR2CFD

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