SCHEMBL6463455

SCHEMBL6463455

CCOc1c(CC)cccc1CCN

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 10/20 0.43
HTR2A P28223 2/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HMGB1 P09429 1/20 0.39
GABRA1 P14867 3/20 0.38
GABRB2 P47870 3/20 0.38
HRH1 P35367 1/20 0.37
BACE1 P56817 1/20 0.36
ELANE P08246 1/20 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
SCHEMBL1253295 0.84 TAAR1 (0.50) TAAR1HTR2AHTR2CHTR2BMAPT
SCHEMBL1251942 0.84 TAAR1 (0.55) TAAR1HTR2AHTR2CHTR2BMAPT
SCHEMBL1252286 0.82 TAAR1 (0.55) TAAR1HTR2AHTR2CHTR2BL3MBTL1
Nitrogen SCHEMBL10975955 0.82 MAPT (0.47) MAPTNPSR1L3MBTL1GABRA1GABRB2
SCHEMBL11145730 0.81 MAPT (0.41) MAPTNPSR1L3MBTL1GABRA1GABRB2
SCHEMBL1253352 0.81 TAAR1 (0.40) TAAR1HTR2AHTR2CHTR2BGABRA1
SCHEMBL1254108 0.81 TAAR1 (0.61) TAAR1HTR2AHTR2CHTR2B
SCHEMBL1252234 0.77 TAAR1 (0.56) TAAR1HTR2AHTR2CHTR2BMAPT
SCHEMBL23251431 0.77 L3MBTL1 (0.43) MAPTNPSR1L3MBTL1GABRA1GABRB2
SCHEMBL12482259 0.77 GABRA1 (0.45) MAPTNPSR1L3MBTL1GABRA1GABRB2

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
EP-1608377-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS Affinium Pharmaceuticals, Inc. (CA) 2005-12-28 EP disclosed
WO-2004082586-A2 PHAMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARMACEUTICALS, INC. (US) 2004-09-30 WO disclosed