SCHEMBL16685102

SCHEMBL16685102

CC1(C)CN(C(=O)C2(NC(=O)O)CC2)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.58
CNR2 P34972 1/20 0.55
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
BIRC2 Q13490 1/20 0.42
ROCK1 Q13464 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
P2RY1 P47900 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
SCHEMBL7984446 0.79 NOTUM (0.77) NOTUMCNR2HTR3EHTR3BHTR3A
SCHEMBL447187 0.75 NOTUM (1.00) NOTUMCNR2HTR3EHTR3BHTR3A
SCHEMBL26932396 0.73 NOTUM (0.73) NOTUMCNR2HTR3EHTR3BHTR3A
SCHEMBL26691209 0.73 NOTUM (0.73) NOTUMCNR2HTR3EHTR3BHTR3A
SCHEMBL16684905 0.73 NOTUM (0.58) NOTUMCNR2HTR3EHTR3BHTR3A
SCHEMBL16684978 0.72 NOTUM (0.47) NOTUMCNR2HTR3EHTR3BHTR3A
SCHEMBL15543771 0.71 CNR2 (1.00) NOTUMCNR2BIRC2
SCHEMBL27565401 0.71 NOTUM (0.69) NOTUMCNR2HTR3EHTR3BHTR3A
SCHEMBL27527695 0.69 NOTUM (0.57) NOTUMCNR2HTR3EHTR3BHTR3A
SCHEMBL28008763 0.68 NOTUM (0.63) NOTUMCNR2HTR3EHTR3BHTR3A

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-2015066344-A1 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. (US) 2015-05-07 WO disclosed