SCHEMBL4052367

SCHEMBL4052367

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

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 16/20 0.59
CNR2 P34972 13/20 0.57
HTR3A P46098 1/20 0.40

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
SCHEMBL13690944 0.94 CNR1 (0.51) CNR1CNR2HTR3A
SCHEMBL13690899 0.89 CNR1 (0.62) CNR1CNR2HTR3A
SCHEMBL4047757 0.87 CNR1 (0.45) CNR1CNR2HTR3A
SCHEMBL4049649 0.85 CNR1 (0.80) CNR1CNR2HTR3A
SCHEMBL13690903 0.83 CNR2 (0.47) CNR1CNR2HTR3A
SCHEMBL4055098 0.83 CNR2 (0.47) CNR1CNR2HTR3A
SCHEMBL4055519 0.82 CNR1 (0.79) CNR1CNR2HTR3A
SCHEMBL1218262 0.81 CNR1 (0.63) CNR1CNR2
SCHEMBL1217864 0.80 CNR1 (0.55) CNR1CNR2HTR3A
SCHEMBL4057194 0.79 CNR1 (0.60) 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