SCHEMBL6924595

SCHEMBL6924595

c1ccc(CC2CCCc3c2[nH]c2ccccc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.59
BRD3 Q15059 1/20 0.58
RB1 P06400 7/20 0.52
SIRT1 Q96EB6 2/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
CDKN1A P38936 1/20 0.52
HTR7 P34969 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
CHRM4 P08173 1/20 0.45
MAPKAPK2 P49137 1/20 0.44

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
SCHEMBL18085037 0.86 BRD3 (0.56) GRIN2BBRD3RB1SIRT1SIRT2
SCHEMBL16941531 0.84 CDKN1A (0.72) RB1SIRT1SIRT2CDKN1A
SCHEMBL13751063 0.82 BRD3 (0.61) BRD3RB1SIRT1SIRT2HTR7
SCHEMBL12107784 0.81 BRD3 (0.50) GRIN2BBRD3RB1SIRT1SIRT2
SCHEMBL832934 0.81 SIRT1 (0.60) GRIN2BBRD3RB1SIRT1SIRT2
SCHEMBL1200756 0.79 BRD3 (0.57) GRIN2BBRD3RB1SIRT1SIRT2
SCHEMBL13751061 0.78 BRD3 (0.56) BRD3RB1SIRT1SIRT2HTR7
SCHEMBL29625801 0.77 BRD3 (0.67) GRIN2BBRD3RB1SIRT1SIRT2
SCHEMBL4191431 0.77 RB1 (0.62) GRIN2BBRD3RB1SIRT1SIRT2
SCHEMBL10754574 0.77 BRD3 (0.55) BRD3RB1SIRT1SIRT2HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1169789-C Aminoalkoxy carbazoles for the treatment of CNS diseases 法玛西雅厄普约翰美国公司 2004-10-06 CN disclosed
US-6514968-B1 Treating a disease or condition in a mammal wherein the 5-HT receptor is implicated and modulation of 5-HT function is desired comprising PHARMACIA & UPJOHN COMPANY 2003-02-04 US disclosed
CN-1372547-A Aminoalkoxy carbazoles for the treatment of CNS diseases UPJOHN CO (US) 2002-10-02 CN disclosed
EP-1210329-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-06-05 EP disclosed
WO-2001017963-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2001-03-15 WO disclosed