SCHEMBL4055098

SCHEMBL4055098

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

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.47
CNR1 P21554 14/20 0.47
MAPK8 P45983 1/20 0.40
HTR3A P46098 1/20 0.40
GHSR Q92847 1/20 0.35

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
SCHEMBL13690903 1.00 CNR2 (0.47) CNR2CNR1MAPK8HTR3AGHSR
SCHEMBL4052367 0.83 CNR1 (0.59) CNR2CNR1HTR3A
SCHEMBL1218162 0.81 L3MBTL1 (0.50) CNR2CNR1MAPK8HTR3A
SCHEMBL13690944 0.80 CNR1 (0.51) CNR2CNR1HTR3A
SCHEMBL13690501 0.80 CNR2 (0.43) CNR2CNR1HTR3AGHSR
SCHEMBL4049865 0.80 CNR2 (0.43) CNR2CNR1HTR3AGHSR
SCHEMBL1213494 0.80 MAPK8 (0.43) CNR2CNR1MAPK8HTR3A
SCHEMBL4047757 0.80 CNR1 (0.45) CNR2CNR1HTR3A
SCHEMBL1214420 0.77 ADORA3 (0.48) MAPK8HTR3A
SCHEMBL4049658 0.76 HTR3A (0.46) CNR2CNR1MAPK8HTR3A

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 claimed