SCHEMBL4059339

SCHEMBL4059339

CC(C)(C)C(NC(=O)c1nn(CCCCC#N)c2ccccc12)C(=O)NCC(N)=O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.62
CNR2 P34972 7/20 0.62
HTR3A P46098 2/20 0.40
KDM4E B2RXH2 1/20 0.39
CFD P00746 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PARP1 P09874 1/20 0.36

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
SCHEMBL4053834 1.00 CNR1 (0.62) CNR1CNR2HTR3AKDM4ECFD
SCHEMBL4050224 0.97 CNR1 (0.64) CNR1CNR2HTR3AKDM4ECFD
SCHEMBL4050950 0.92 CNR1 (0.58) CNR1CNR2HTR3AKDM4EHDAC1
SCHEMBL13690913 0.92 CNR1 (0.58) CNR1CNR2HTR3AKDM4EHDAC1
SCHEMBL4053880 0.91 CNR1 (0.67) CNR1CNR2HTR3AKDM4ECFD
SCHEMBL4057476 0.90 CNR1 (0.61) CNR1CNR2HTR3AKDM4ECFD
SCHEMBL4058950 0.89 CNR1 (0.59) CNR1CNR2HTR3AKDM4E
SCHEMBL13690586 0.89 CNR1 (0.67) CNR1CNR2HTR3AKDM4ECFD
SCHEMBL4054847 0.89 CNR1 (0.78) CNR1CNR2HTR3AKDM4E
SCHEMBL4055740 0.89 CNR1 (0.49) CNR1CNR2

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