SCHEMBL5137212

SCHEMBL5137212

COc1ccc(Cl)cc1-c1cc(Cl)cc2c1O[CH]C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ALDH1A1 P00352 8/20 0.41
HPGD P15428 4/20 0.41
KDM4E B2RXH2 2/20 0.40
USP2 O75604 1/20 0.40
PRNP P04156 1/20 0.40
PPARG P37231 1/20 0.40
MAPK10 P53779 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
STAT3 P40763 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL4607826 0.91 ALDH1A1 (0.39) HTR2AHTR2CALDH1A1HPGDKDM4E
SCHEMBL27723628 0.87 HTR7 (0.41) HTR2AHTR2CALDH1A1HPGDKDM4E
SCHEMBL27723639 0.86 ALDH1A1 (0.42) HTR2AHTR2CALDH1A1HPGDKDM4E
SCHEMBL5134380 0.82 CYP3A4 (0.40) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL4607693 0.81 KDM4E (0.36) ALDH1A1KDM4EHSD17B10TDP1SMN1; SMN2
SCHEMBL4596615 0.79 AQP1 (0.39) HTR2AHTR2CALDH1A1HPGDKDM4E
SCHEMBL4760683 0.78 CA12 (0.41) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL4770057 0.78 S1PR4 (0.37) ALDH1A1HPGDKDM4ENPSR1TDP1
SCHEMBL7699644 0.76 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EUSP2PRNP
SCHEMBL4597091 0.75 HTR2A (0.46) HTR2AHTR2CALDH1A1HPGDKDM4E

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 16 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
EP-1998764-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS Wyeth a Corporation of the State of Delaware (US) 2008-12-10 EP claimed
CN-101203217-A Methods for modulating bladder function WYETH CORP (US) 2008-06-18 CN claimed
CN-101203216-A Dihydrobenzofuran derivatives and uses thereof WYETH CORP (US) 2008-06-18 CN claimed
CN-101198323-A Therapeutic combinations for the treatment or prevention of psychotic disorders WYETH CORP (US) 2008-06-11 CN claimed
CN-101198322-A Novel therapeutic combinations for the treatment or prevention of depression WYETH CORP (US) 2008-06-11 CN claimed
CN-101189004-A Treatment of pain WYETH CORP (US) 2008-05-28 CN claimed
WO-2007112065-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS WYETH (US) 2007-10-04 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-101203216-A Dihydrobenzofuran derivatives and uses thereof WYETH CORP (US) 2008-06-18 CN disclosed
CN-101198323-A Therapeutic combinations for the treatment or prevention of psychotic disorders WYETH CORP (US) 2008-06-11 CN disclosed
CN-101198322-A Novel therapeutic combinations for the treatment or prevention of depression WYETH CORP (US) 2008-06-11 CN disclosed
CN-101189004-A Treatment of pain WYETH CORP (US) 2008-05-28 CN disclosed