SCHEMBL4047757

SCHEMBL4047757

CC(C)C[C@H](NC(=O)c1nn(CCCCC#N)c2ncccc12)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.45
CNR2 P34972 13/20 0.45
CFD P00746 1/20 0.40
HTR3A P46098 1/20 0.39
CTSD P07339 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
SCHEMBL13690890 0.90 CNR1 (0.47) CNR1CNR2CFDHTR3A
SCHEMBL4052367 0.87 CNR1 (0.59) CNR1CNR2HTR3A
SCHEMBL13690944 0.86 CNR1 (0.51) CNR1CNR2HTR3A
SCHEMBL1218497 0.81 MEN1 (0.50) CNR1CNR2CFDCTSD
SCHEMBL1218526 0.80 CNR2 (0.46) CNR1CNR2CFD
SCHEMBL13690527 0.80 CNR1 (0.47) CNR1CNR2
SCHEMBL13690903 0.80 CNR2 (0.47) CNR1CNR2HTR3A
SCHEMBL4055098 0.80 CNR2 (0.47) CNR1CNR2HTR3A
SCHEMBL4050221 0.79 CNR1 (0.46) CNR1CNR2
SCHEMBL13691225 0.79 CNR1 (0.46) CNR1CNR2

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