SCHEMBL13690899

SCHEMBL13690899

CC(C)C(NC(=O)c1nn(CCCCN)c2ncccc12)C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 16/20 0.62
CNR2 P34972 13/20 0.60
HTR3A P46098 1/20 0.41

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
SCHEMBL4052367 0.89 CNR1 (0.59) CNR1CNR2HTR3A
SCHEMBL13690890 0.86 CNR1 (0.47) CNR1CNR2HTR3A
SCHEMBL1218262 0.83 CNR1 (0.63) CNR1CNR2
SCHEMBL13690944 0.83 CNR1 (0.51) CNR1CNR2HTR3A
SCHEMBL1217864 0.82 CNR1 (0.55) CNR1CNR2HTR3A
SCHEMBL1217140 0.82 CNR1 (0.57) CNR1CNR2HTR3A
SCHEMBL13690937 0.78 CNR1 (0.61) CNR1CNR2HTR3A
SCHEMBL29019203 0.78 CNR1 (0.98) CNR1CNR2HTR3A
SCHEMBL21140768 0.77 CNR1 (1.00) CNR1CNR2HTR3A
SCHEMBL30032574 0.77 CNR1 (0.81) CNR1CNR2HTR3A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed