SCHEMBL5230180

SCHEMBL5230180

CN1CCN(C(c2ccc(-c3ccc(F)cc3)cc2)c2cn[nH]c2-c2cccc(Cl)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.42
HTR2A P28223 3/20 0.42
HTR7 P34969 3/20 0.42
HTR2B P41595 3/20 0.42
HTR6 P50406 3/20 0.42
HTR3A P46098 2/20 0.42
HTR2C P28335 2/20 0.42
HTR5A P47898 1/20 0.42
HRH3 Q9Y5N1 2/20 0.40
CHRM2 P08172 2/20 0.40
ADRA2A P08913 2/20 0.40
CHRM1 P11229 2/20 0.40
DRD1 P21728 2/20 0.40
TBXA2R P21731 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
ADRA1A P35348 2/20 0.40
DRD3 P35462 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KCNH2 Q12809 2/20 0.40

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
SCHEMBL5227450 0.90 HRH3 (0.42) HTR1AHTR2AHTR7HTR2BHTR6
SCHEMBL5230614 0.90 ACHE (0.51) HTR1AHTR2AHTR7HTR2BHTR6
SCHEMBL5227779 0.89 ACHE (0.52) HTR1AHTR2AHTR7HTR2BHTR6
SCHEMBL5226913 0.86 HRH3 (0.45) HTR1AHTR2AHTR7HTR2BHTR6
SCHEMBL5229632 0.85 HTR2A (0.40) HTR1AHTR2AHTR7HTR2BHTR6
SCHEMBL5228222 0.84 HRH3 (0.39) HTR1AHTR2AHTR7HTR2BHTR6
SCHEMBL5228031 0.83 MAPK1 (0.40) HTR1AHTR2AHTR7HTR2BHTR6
SCHEMBL2761010 0.79 MAPT (0.41) HTR1AHTR2AHTR7HTR2BHTR6
SCHEMBL2761086 0.79 HTR2B (0.39) HTR1AHTR2AHTR7HTR2BHTR6
SCHEMBL1997982 0.79 ACHE (0.43) HTR1AHTR2AHTR2BHTR2CHRH3

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
EP-1611122-B1 SUBSTITUTED PYRAZOLE COMPOUNDS MERCK PATENT GMBH (DE) 2007-06-13 EP disclosed