SCHEMBL5583665

SCHEMBL5583665

[CH]1Cc2cccc(-c3cccnc3)c2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.47
CYP11B2 P19099 7/20 0.47
CYP2A6 P11509 5/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP19A1 P11511 3/20 0.42
CYP17A1 P05093 1/20 0.42
TDO2 P48775 1/20 0.41
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2E1 P05181 1/20 0.37
CYP2D6 P10635 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
SCHEMBL27725876 0.86 CYP11B1 (0.49) CYP11B1CYP11B2CYP2A6ALDH1A1CYP1A2
SCHEMBL5583408 0.80 CYP17A1 (0.42) CYP11B1CYP11B2CYP2A6ALDH1A1CYP1A2
SCHEMBL27723763 0.76 NPC1 (0.42) CYP11B1CYP11B2CYP2A6CYP1A2SMN1; SMN2
SCHEMBL5583557 0.73 HTR1A (0.44) TDO2SMN1; SMN2TP53ALOX15RAB9A
SCHEMBL4595329 0.72 MAOA (0.47) CYP11B1CYP11B2ALDH1A1CYP1A2CYP19A1
SCHEMBL4595328 0.72 CYP11B1 (0.43) CYP11B1CYP11B2CYP2A6ALDH1A1CYP1A2
SCHEMBL5583548 0.70 HTR1A (0.48) CYP2A6ALDH1A1CYP1A2CYP3A4TDO2
SCHEMBL26259989 0.69 CYP2A6 (0.64) CYP11B1CYP11B2CYP2A6ALDH1A1CYP1A2
Fluorene SCHEMBL28302102 0.69 CYP11B1 (0.53) CYP11B1CYP11B2CYP2A6ALDH1A1CYP1A2
SCHEMBL20541087 0.69 CYP2A6 (0.70) CYP11B1CYP11B2CYP2A6ALDH1A1CYP1A2

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 15 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
JP-2007509174-A 2007-04-12 JP claimed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP claimed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO 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-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