SCHEMBL6294147

SCHEMBL6294147

C[C@@H]1CNCCc2ccc(I)cc21

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 19/20 0.66
HTR2A P28223 18/20 0.66
HTR2B P41595 16/20 0.66
ADRA2A P08913 2/20 0.66
ADRA2B P18089 2/20 0.66
ADRA2C P18825 2/20 0.66
ADRB1 P08588 1/20 0.66
HTR1A P08908 1/20 0.66
CNR1 P21554 1/20 0.66
SLC6A2 P23975 1/20 0.66
SLC6A4 P31645 1/20 0.66
HRH1 P35367 1/20 0.66
KCNH2 Q12809 1/20 0.66
PNMT P11086 1/20 0.51

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
SCHEMBL1095427 1.00 HTR2C (0.66) HTR2CHTR2AHTR2BADRA2AADRA2B
SCHEMBL6298759 1.00 HTR2C (0.66) HTR2CHTR2AHTR2BADRA2AADRA2B
SCHEMBL6293734 0.81 HTR2A (0.69) HTR2CHTR2AHTR2BADRA2AADRA2B
SCHEMBL6294060 0.81 HTR2A (0.69) HTR2CHTR2AHTR2BADRA2AADRA2B
SCHEMBL1094601 0.81 HTR2A (0.69) HTR2CHTR2AHTR2BADRA2AADRA2B
SCHEMBL12151155 0.81 HTR2C (0.68) HTR2CHTR2AHTR2BADRA2AADRA2B
SCHEMBL15996756 0.81 HTR2C (0.68) HTR2CHTR2AHTR2BADRA2AADRA2B
Lorcaserin SCHEMBL170848 0.79 HTR2A (1.00) HTR2CHTR2AHTR2BADRA2AADRA2B
Lorcaserin SCHEMBL1094953 0.79 HTR2A (1.00) HTR2CHTR2AHTR2BADRA2AADRA2B
SCHEMBL12203742 0.79 HTR2C (0.66) HTR2CHTR2AHTR2BADRA2AADRA2B

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
US-6953787-B2 5HT2C receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2005-10-11 US claimed