SCHEMBL6294098

SCHEMBL6294098

CC[C@H]1CNCCc2ccc(Br)cc21

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 16/20 0.69
HTR2C P28335 16/20 0.69
HTR2B P41595 15/20 0.69
PNMT P11086 2/20 0.46
ASIC3 Q9UHC3 1/20 0.46
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
ADRB1 P08588 1/20 0.44
HTR1A P08908 1/20 0.44
CNR1 P21554 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
HRH1 P35367 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL1094699 1.00 HTR2A (0.69) HTR2AHTR2CHTR2BPNMTASIC3
SCHEMBL6298622 1.00 HTR2A (0.69) HTR2AHTR2CHTR2BPNMTASIC3
SCHEMBL1094635 0.82 HTR2A (1.00) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL6294060 0.82 HTR2A (0.69) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL1094636 0.82 HTR2A (1.00) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL1094393 0.82 HTR2A (1.00) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL1094601 0.82 HTR2A (0.69) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL6293734 0.82 HTR2A (0.69) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL1095465 0.81 HTR2C (1.00) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL1095893 0.81 HTR2C (1.00) HTR2AHTR2CHTR2BPNMTADRA2A

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