SCHEMBL28319367

SCHEMBL28319367

CC(C)(C)NC(=O)OC1CCC(c2cccc(C(F)(F)F)c2)CC1N

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.40
CSNK1E P49674 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
SCN9A Q15858 5/20 0.38
HTR2A P28223 1/20 0.38
HTR2B P41595 1/20 0.38
GUSB P08236 1/20 0.38
DRD2 P14416 1/20 0.38
HCRTR2 O43614 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
SCHEMBL28487568 0.85 HTR2C (0.45) HTR2CMAOAMAOBSCN9AHTR2A
SCHEMBL29481964 0.77 MAOB (0.42) HTR2CMAOAMAOBSCN9AHTR2A
SCHEMBL21306626 0.77 MAOB (0.42) HTR2CMAOAMAOBSCN9AHTR2A
SCHEMBL29481962 0.77 MAOB (0.42) HTR2CMAOAMAOBSCN9AHTR2A
SCHEMBL20063742 0.77 MAOB (0.42) HTR2CMAOAMAOBSCN9AHTR2A
SCHEMBL21294962 0.77 MAOB (0.42) HTR2CMAOAMAOBSCN9AHTR2A
SCHEMBL21294928 0.76 HTR2C (0.43) HTR2CMAOBSCN9AHTR2AHTR2B
SCHEMBL21294734 0.76 HTR2C (0.43) HTR2CMAOBSCN9AHTR2AHTR2B
SCHEMBL21306739 0.76 HTR2C (0.43) HTR2CMAOBSCN9AHTR2AHTR2B
SCHEMBL21294829 0.75 HTR2C (0.42) HTR2CMAOAMAOBGUSBDRD2

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
CN-110072855-A Therapeutic compound and its application method 基因泰克公司 2019-07-30 CN disclosed