SCHEMBL27723752

SCHEMBL27723752

Cc1cc2c(c(-c3cccc(CN)c3)c1)O[CH]C2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.37
CD274 Q9NZQ7 1/20 0.35
NOS1 P29475 3/20 0.34
NOS2 P35228 3/20 0.34
NOS3 P29474 1/20 0.34
KARS1 Q15046 1/20 0.34
PDE4D Q08499 1/20 0.33
PNMT P11086 1/20 0.32
ENPP2 Q13822 1/20 0.32
NCF1 P14598 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CFD P00746 2/20 0.30
TAAR1 Q96RJ0 2/20 0.30
CDK8 P49336 1/20 0.30
HSD17B3 P37058 1/20 0.30

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
SCHEMBL27703068 0.88 CD274 (0.40) CD274NOS1NOS2NOS3TAAR1
SCHEMBL28769899 0.84 TAAR1 (0.38) HTR7NOS1NOS2NOS3PDE4D
SCHEMBL4962641 0.83 FYN (0.36) CDK8
SCHEMBL27703043 0.81 AGXT (0.36) HTR7PRMT6TAAR1
SCHEMBL27723634 0.80 HTR1A (0.38) HTR7
SCHEMBL27703039 0.76 DPP4 (0.38) NOS1NOS2NOS3PNMTCSNK2A1
SCHEMBL5586547 0.75 MEN1 (0.36)
SCHEMBL27723636 0.74 PRKAB2 (0.41) HTR7CD274NOS1NOS2NOS3
SCHEMBL27723629 0.72 AHR (0.33) HTR7
SCHEMBL4763086 0.71 ACHE (0.37) CDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101448492-A Methods of treating cognitive and other disorders WYETH CORP (US) 2009-06-03 CN claimed
CN-101389325-A Treatment of drug abuse WYETH CORP (US) 2009-03-18 CN claimed
CN-101203217-A Methods for modulating bladder function WYETH CORP (US) 2008-06-18 CN claimed
CN-101198322-A Novel therapeutic combinations for the treatment or prevention of depression WYETH CORP (US) 2008-06-11 CN claimed
CN-101198323-A Therapeutic combinations for the treatment or prevention of psychotic disorders WYETH CORP (US) 2008-06-11 CN claimed
CN-101189004-A Treatment of pain WYETH CORP (US) 2008-05-28 CN claimed
CN-101448492-A Methods of treating cognitive and other disorders WYETH CORP (US) 2009-06-03 CN disclosed
CN-101389325-A Treatment of drug abuse WYETH CORP (US) 2009-03-18 CN disclosed
CN-101203217-A Methods for modulating bladder function WYETH CORP (US) 2008-06-18 CN disclosed
CN-101203216-A Dihydrobenzofuran derivatives and uses thereof WYETH CORP (US) 2008-06-18 CN disclosed
CN-101198322-A Novel therapeutic combinations for the treatment or prevention of depression WYETH CORP (US) 2008-06-11 CN disclosed
CN-101198323-A Therapeutic combinations for the treatment or prevention of psychotic disorders WYETH CORP (US) 2008-06-11 CN disclosed
CN-101189004-A Treatment of pain WYETH CORP (US) 2008-05-28 CN disclosed