SCHEMBL4048068

SCHEMBL4048068

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

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.56
CNR2 P34972 9/20 0.56
SCN9A Q15858 1/20 0.43
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
HTR3A P46098 2/20 0.38
KDM4E B2RXH2 1/20 0.37
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL13690609 1.00 CNR1 (0.56) CNR1CNR2SCN9AEGFRSRC
SCHEMBL13691161 0.89 CNR1 (0.62) CNR1CNR2HTR3AKDM4E
SCHEMBL4048639 0.89 CNR1 (0.58) CNR1CNR2SCN9AHTR3AKDM4E
SCHEMBL4051781 0.89 CNR1 (0.43) CNR1CNR2SCN9A
SCHEMBL4049921 0.89 CNR1 (0.43) CNR1CNR2SCN9A
SCHEMBL13690974 0.88 CNR1 (0.58) CNR1CNR2HTR3AKDM4EHDAC1
SCHEMBL4051603 0.88 CNR1 (0.58) CNR1CNR2HTR3AKDM4EHDAC1
SCHEMBL4057247 0.88 CNR1 (0.59) CNR1CNR2HTR3AKDM4EHDAC1
SCHEMBL13690654 0.87 CNR1 (0.57) CNR1CNR2SCN9AEGFRSRC
SCHEMBL13690913 0.87 CNR1 (0.58) CNR1CNR2HTR3AKDM4EHDAC1

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