SCHEMBL6683072

SCHEMBL6683072

[c]1ccn(-c2ccccc2Oc2ccncc2)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
CYP19A1 P11511 1/20 0.34
NR1H2 P55055 1/20 0.32
SCN9A Q15858 1/20 0.31
GRM5 P41594 1/20 0.30
MAPK13 O15264 1/20 0.30
GCGR P47871 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL558506 0.76 DRD2 (0.44)
SCHEMBL4723413 0.73 ALDH1A1 (0.46)
SCHEMBL16719635 0.68 MAOA (0.39)
SCHEMBL17710270 0.67 MGLL (0.42) NR1H2SCN9A
SCHEMBL28013628 0.67 NPC1 (0.50) HTR1ASLC6A2SLC6A4SLC6A3CYP19A1
SCHEMBL2750741 0.64 SMN1; SMN2 (0.43)
SCHEMBL15015154 0.63 MAPK14 (0.55) HTR1ASLC6A2SLC6A4MAPK14
SCHEMBL10753674 0.63 ALDH1A1 (0.39) PIM1PIM2CYP19A1MAPK14
SCHEMBL15201678 0.63 LCK (0.40) HTR1ASLC6A2SLC6A4SLC6A3PIM1
SCHEMBL7408341 0.63 HTT (0.72) HTR1ASLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004030637-A2 TREATMENT OF OBESITY AND OTHER DISORDERS ASSOCIATED WITH EXCESSIVE FOOD INTAKE MERCK & CO., INC. (US) 2004-04-15 WO claimed