SCHEMBL30503264

SCHEMBL30503264

COC(=O)c1nc(CCCCCN2CCN(c3ccccc3)CC2)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.52
HTR2C P28335 2/20 0.52
HTR2B P41595 2/20 0.52
KCNH2 Q12809 2/20 0.49
HTR7 P34969 5/20 0.48
DRD2 P14416 3/20 0.48
DRD3 P35462 2/20 0.48
HTR1A P08908 3/20 0.48
SIGMAR1 Q99720 1/20 0.47
DRD4 P21917 1/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL24227986 1.00 HTR2A (0.52) HTR2AHTR2CHTR2BKCNH2HTR7
SCHEMBL26192265 0.99 HTR2A (0.53) HTR2AHTR2CHTR2BKCNH2HTR7
SCHEMBL30503289 0.99 HTR2A (0.53) HTR2AHTR2CHTR2BKCNH2HTR7
SCHEMBL24228019 0.88 MAOB (0.50) HTR7MAPT
SCHEMBL30503303 0.87 PAOX (0.42) HTR7DRD2DRD3SIGMAR1
SCHEMBL24228086 0.87 PAOX (0.42) HTR7DRD2DRD3SIGMAR1
SCHEMBL24227991 0.87 MAOB (0.53) HTR2AHTR2CHTR7DRD2DRD3
SCHEMBL30503331 0.87 MAOB (0.53) HTR2AHTR2CHTR7DRD2DRD3
SCHEMBL24228083 0.87 CCR3 (0.50) MAPT
SCHEMBL30503278 0.86 HTR1A (0.57) HTR2AHTR2CKCNH2HTR7DRD2

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-116472267-A Butyrylcholinesterase reactivating agent 法兰西国由中央军队卫生服务局代表 2023-07-21 CN disclosed