SCHEMBL6661043

SCHEMBL6661043

CC1(C)CNCCc2ccc(Br)cc21

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.66
HTR2C P28335 5/20 0.66
PNMT P11086 1/20 0.51
ASIC3 Q9UHC3 1/20 0.51
HTR2B P41595 4/20 0.49
PARP10 Q53GL7 2/20 0.40
PARP1 P09874 1/20 0.40
KDM1A O60341 1/20 0.39
PARP11 Q9NR21 1/20 0.37
BACE1 P56817 2/20 0.35
APP P05067 1/20 0.35
MELK Q14680 1/20 0.35
CMA1 P23946 1/20 0.35
AHR P35869 1/20 0.35
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL25591142 0.82 PNMT (0.46) HTR2AHTR2CPNMTASIC3HTR2B
Hydrochloric Acid SCHEMBL30098020 0.81 PNMT (0.44) HTR2AHTR2CPNMTASIC3HTR2B
SCHEMBL2368756 0.79 HTR2A (1.00) HTR2AHTR2CPNMTASIC3HTR2B
SCHEMBL9058489 0.77 HTR2A (0.62) HTR2AHTR2CPNMTHTR2BKDM1A
SCHEMBL1706762 0.76 KDM1A (0.53) HTR2AHTR2CPNMTASIC3HTR2B
SCHEMBL29804270 0.76 KDM1A (0.53) HTR2AHTR2CPNMTASIC3HTR2B
SCHEMBL6660144 0.74 HTR2A (0.68) HTR2AHTR2CPNMTHTR2BKDM1A
SCHEMBL7680539 0.74 PNMT (0.49) HTR2AHTR2CPNMTASIC3HTR2B
SCHEMBL2481940 0.73 PNMT (0.42) HTR2AHTR2CPNMTASIC3HTR2B
SCHEMBL2343653 0.73 GAA (0.39) HTR2AHTR2CCMA1AHRGAA

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-1411881-A4 5HT sb 2C /sb RECEPTOR MODULATORS ARENA PHARM INC (US) 2004-07-07 EP disclosed
EP-1411881-A2 5HT sb 2C /sb RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2004-04-28 EP disclosed
WO-2003086306-A2 5HT2C RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. (US) 2003-10-23 WO disclosed