SCHEMBL6529664

SCHEMBL6529664

COc1cccc(N2CCCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.51
OGA O60502 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
HTR1A P08908 2/20 0.46
HTR2A P28223 2/20 0.46
DRD3 P35462 2/20 0.46
PDE10A Q9Y233 6/20 0.45
PHGDH O43175 1/20 0.44
HTR3E A5X5Y0 3/20 0.43
HTR3B O95264 3/20 0.43
HTR3A P46098 3/20 0.43
HTR3D Q70Z44 3/20 0.43
HTR3C Q8WXA8 3/20 0.43
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL30770805 0.98 ALOX5 (0.50) ALOX5OGAHRH3HTR1AHTR2A
SCHEMBL22547430 0.96 ALOX5 (0.51) ALOX5OGAHRH3HTR1AHTR2A
SCHEMBL1275290 0.86 HTR3A (0.62) ALOX5OGAHRH3HTR1AHTR2A
SCHEMBL3916764 0.86 ALOX5 (0.52) ALOX5OGAHRH3HTR1AHTR2A
SCHEMBL13706046 0.84 CYP2C19 (0.58) ALOX5OGAHRH3HTR1AHTR2A
SCHEMBL2412819 0.84 HTR3E (0.58) ALOX5OGAHRH3HTR1ADRD3
SCHEMBL3586961 0.84 PHGDH (0.50) ALOX5OGAHRH3HTR1AHTR2A
Hydrochloric Acid SCHEMBL3849292 0.83 HTR3E (0.57) ALOX5OGAHRH3HTR1ADRD3
SCHEMBL14083328 0.82 OGA (0.47) ALOX5OGAHRH3HTR1AHTR2A
SCHEMBL3826847 0.82 HTR3E (0.60) ALOX5OGAHRH3HTR1AHTR2A

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
CN-104725397-A Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them SERVIER LAB 2015-06-24 CN disclosed
US-6916345-B2 6-alkoxy-2,3-diaminopyridine couplers for dyeing keratin fibres L'OREAL S.A. (FR) 2005-07-12 US disclosed