SCHEMBL6428639

SCHEMBL6428639

C1=C(c2ccc3cc[nH]c3c2)C[C@H]2CCCN2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.47
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PIK3CD O00329 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
HCK P08631 1/20 0.39
SRC P12931 1/20 0.39
KDR P35968 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
EPHB4 P54760 1/20 0.39
PRKDC P78527 1/20 0.39
HTR1D P28221 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36

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
SCHEMBL6428641 1.00 HTR6 (0.47) HTR6KDM4EALDH1A1MAPTHPGD
SCHEMBL14811046 0.75 HTR6 (0.43) HTR6KDM4EALDH1A1MAPTCHRNA7
SCHEMBL6426765 0.73 MAPK11 (0.43) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL6426242 0.73 MAPK11 (0.43) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL8706306 0.72 HTR6 (0.38) HTR6
SCHEMBL7831584 0.72 SLC6A4 (0.51) HTR6OPRM1HTR1AAHR
SCHEMBL7007800 0.70 SLC6A4 (0.59)
SCHEMBL7007803 0.70 SLC6A4 (0.59)
SCHEMBL7010593 0.70 HTR1D (0.61) HTR1DBRD4MPO
SCHEMBL7006155 0.69 HTR1D (0.63) HTR6HTR1DL3MBTL1KCNH2MPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6897215-B1 Compounds having 5-HT6 receptor antagonist activity NPS ALLELIX CORP. (CA) 2005-05-24 US disclosed
WO-2001032660-A1 COMPOUNDS HAVING 5-HT6 RECEPTOR ANTAGONIST ACTIVITY NPS ALLELIX CORP. (US) 2001-05-10 WO disclosed