SCHEMBL1907938

SCHEMBL1907938

OC1(I)CNCCc2ccc(Cl)cc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.62
HTR2C P28335 9/20 0.62
HTR2B P41595 8/20 0.51
PNMT P11086 2/20 0.49
ADRA2A P08913 2/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
ADRB1 P08588 1/20 0.43
HTR1A P08908 1/20 0.43
CNR1 P21554 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
HRH1 P35367 1/20 0.43
KCNH2 Q12809 1/20 0.43
F7 P08709 1/20 0.38
PARP1 P09874 1/20 0.38
F3 P13726 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PDK2 Q15119 1/20 0.38
KDM1A O60341 3/20 0.37

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
SCHEMBL3757689 0.81 HTR2A (0.71) HTR2AHTR2CHTR2BPNMTADRA2A
Hydrochloric Acid SCHEMBL27967632 0.79 HTR2A (0.69) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL2368756 0.77 HTR2A (1.00) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL6298572 0.75 HTR2A (0.73) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL2695344 0.74 HTR2A (0.71) HTR2AHTR2CHTR2BPNMTADRA2A
Water SCHEMBL16701244 0.74 HTR2A (0.71) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL2477900 0.69 HTR2A (0.58) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL173414 0.69 HTR2A (0.58) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL2881688 0.69 HTR2C (1.00) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL29676733 0.69 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
EP-2322162-A1 5HT2C receptor modulator compositions and methods of use Arena Pharmaceuticals, Inc. (US) 2011-05-18 EP disclosed