SCHEMBL4048907

SCHEMBL4048907

CC(C)(C)[C@H](NC(=O)c1nn(CC(=O)N2CCCCC2)c2ccccc12)C(=O)NCC(N)=O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.52
CNR2 P34972 3/20 0.52
CFD P00746 11/20 0.43
KDM4E B2RXH2 1/20 0.41
HTR3A P46098 1/20 0.39

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
SCHEMBL13690554 1.00 CNR1 (0.52) CNR1CNR2CFDKDM4EHTR3A
SCHEMBL13691045 0.92 CNR1 (0.51) CNR1CNR2CFDHTR3A
SCHEMBL4047866 0.92 CNR1 (0.51) CNR1CNR2CFDHTR3A
SCHEMBL13690564 0.89 CNR1 (0.65) CNR1CNR2CFDKDM4EHTR3A
SCHEMBL4059110 0.89 CNR1 (0.49) CNR1CNR2CFDKDM4EHTR3A
SCHEMBL13690557 0.89 CNR1 (0.49) CNR1CNR2CFDKDM4EHTR3A
SCHEMBL13690544 0.86 CNR1 (0.49) CNR1CNR2CFDKDM4EHTR3A
SCHEMBL4053493 0.86 CNR1 (0.49) CNR1CNR2CFDKDM4EHTR3A
SCHEMBL4049353 0.85 CNR1 (0.51) CNR1CNR2CFDHTR3A
SCHEMBL4049580 0.85 CNR1 (0.51) CNR1CNR2CFDHTR3A

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