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Sugi Predict / Compounds / SCHEMBL4048314

SCHEMBL4048314

SCHEMBL4048314

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

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 11/20 0.58
▸ CNR2 P34972 7/20 0.58
▸ HTR3A P46098 6/20 0.43
▸ KDM4E B2RXH2 1/20 0.39
▸ SCN9A Q15858 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 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
SCHEMBL13691107 0.90 CNR1 (0.62) CNR1CNR2HTR3AKDM4EHDAC1
SCHEMBL13690543 0.89 CNR1 (0.63) CNR1CNR2HTR3AKDM4ESCN9A
SCHEMBL4048713 0.89 CNR1 (0.62) CNR1CNR2HTR3AKDM4E
SCHEMBL4054253 0.88 CNR1 (0.65) CNR1CNR2HTR3AKDM4EHDAC1
SCHEMBL13691006 0.88 CNR1 (0.65) CNR1CNR2HTR3AKDM4EHDAC1
SCHEMBL13690943 0.88 CNR1 (0.64) CNR1CNR2HTR3AKDM4ESCN9A
SCHEMBL4048639 0.88 CNR1 (0.58) CNR1CNR2HTR3AKDM4ESCN9A
SCHEMBL13690732 0.87 CNR1 (0.43) CNR1CNR2HTR3A
SCHEMBL4053153 0.86 CNR1 (0.59) CNR1CNR2HTR3AKDM4ESCN9A
SCHEMBL13690654 0.86 CNR1 (0.57) 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