SCHEMBL4048639

SCHEMBL4048639

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

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.58
CNR2 P34972 5/20 0.58
HTR3A P46098 5/20 0.41
KDM4E B2RXH2 2/20 0.39
SCN9A Q15858 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ROCK1 Q13464 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
SCHEMBL4053153 0.97 CNR1 (0.59) CNR1CNR2HTR3AKDM4ESCN9A
SCHEMBL4051603 0.96 CNR1 (0.58) CNR1CNR2HTR3AKDM4EHDAC1
SCHEMBL13690974 0.96 CNR1 (0.58) CNR1CNR2HTR3AKDM4EHDAC1
SCHEMBL4050521 0.93 CNR1 (0.58) CNR1CNR2HTR3AKDM4EROCK1
SCHEMBL4050074 0.91 CNR1 (0.57) CNR1CNR2HTR3AKDM4EHDAC1
SCHEMBL4057476 0.91 CNR1 (0.61) CNR1CNR2HTR3AKDM4EHDAC1
SCHEMBL13690913 0.89 CNR1 (0.58) CNR1CNR2HTR3AKDM4EHDAC1
SCHEMBL4050950 0.89 CNR1 (0.58) CNR1CNR2HTR3AKDM4EHDAC1
SCHEMBL13690543 0.89 CNR1 (0.63) CNR1CNR2HTR3AKDM4ESCN9A
SCHEMBL4048068 0.89 CNR1 (0.56) CNR1CNR2HTR3AKDM4ESCN9A

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