SCHEMBL6587558

SCHEMBL6587558

Cc1[nH]nc(-c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
KCNK3 O14649 1/20 0.52
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ADORA3 P0DMS8 2/20 0.46
ADORA2A P29274 2/20 0.46
ADORA2B P29275 1/20 0.46

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
SCHEMBL6590232 0.88 CNR1 (0.59) MAPTCLK4ROCK1
SCHEMBL6585335 0.83 BDKRB1 (0.53) KCNK3MAPTNPC1RAB9A
SCHEMBL6588594 0.83 NPC1 (0.56) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL6590586 0.81 PDE5A (0.43) MAPTKDM4EMEN1KMT2AAURKA
SCHEMBL6590857 0.80 RAF1 (0.50) AURKACLK4ROCK1
SCHEMBL6587613 0.79 MAPT (0.57) KCNK3MAPTKDM4ELMNAGAA
SCHEMBL2959175 0.79 L3MBTL1 (0.61) BCHEACHEKCNK3MAPTKDM4E
SCHEMBL6587567 0.77 CNR1 (0.56) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL6587577 0.76 GPBAR1 (0.39) MAPTGAAMEN1CYP1A2CYP3A4
SCHEMBL6587561 0.76 BCHE (0.51) BCHEACHEKCNK3MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1071701-A4 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARM INC (US) 2004-04-21 EP disclosed
EP-1071701-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF Arena Pharmaceuticals, Inc. (US) 2001-01-31 EP disclosed
WO-1999052927-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARMACEUTICALS, INC. (US) 1999-10-21 WO disclosed