SCHEMBL4057476

SCHEMBL4057476

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

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.61
CNR2 P34972 7/20 0.61
HTR3A P46098 4/20 0.42
KDM4E B2RXH2 1/20 0.38
CFD P00746 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PARP1 P09874 1/20 0.35

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
SCHEMBL4048639 0.91 CNR1 (0.58) CNR1CNR2HTR3AKDM4EHDAC1
SCHEMBL4059339 0.90 CNR1 (0.62) CNR1CNR2HTR3AKDM4ECFD
SCHEMBL4053834 0.90 CNR1 (0.62) CNR1CNR2HTR3AKDM4ECFD
SCHEMBL13690974 0.90 CNR1 (0.58) CNR1CNR2HTR3AKDM4EHDAC1
SCHEMBL4051603 0.90 CNR1 (0.58) CNR1CNR2HTR3AKDM4EHDAC1
SCHEMBL4050074 0.90 CNR1 (0.57) CNR1CNR2HTR3AKDM4EHDAC1
SCHEMBL4053153 0.89 CNR1 (0.59) CNR1CNR2HTR3AKDM4E
SCHEMBL4054847 0.88 CNR1 (0.78) CNR1CNR2HTR3AKDM4E
SCHEMBL13691161 0.88 CNR1 (0.62) CNR1CNR2HTR3AKDM4ECFD
SCHEMBL4050224 0.88 CNR1 (0.64) CNR1CNR2HTR3AKDM4ECFD

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