SCHEMBL11274636

SCHEMBL11274636

CC1SCCCNc2cc(Cl)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.37
HTR2A P28223 4/20 0.37
HTR2B P41595 4/20 0.37
GAA P10253 1/20 0.35
ADRB1 P08588 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CNR1 P21554 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
HRH1 P35367 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CMA1 P23946 1/20 0.32
AHR P35869 1/20 0.32

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
Hydrochloric Acid SCHEMBL11275024 0.98 HTR2C (0.36) HTR2CHTR2AHTR2BGAAADRB1
SCHEMBL11262097 0.89 HTR2C (0.39) HTR2CHTR2AHTR2BGAAADRB1
Hydrochloric Acid SCHEMBL11269902 0.88 HTR2C (0.38) HTR2CHTR2AHTR2BGAAADRB1
SCHEMBL11269627 0.83 HTR2C (0.36) HTR2CHTR2AHTR2BCHRNB2CHRNA4
SCHEMBL11272867 0.78
SCHEMBL11273290 0.78 MEN1 (0.37) HTR2CHTR2AHTR2BGAAALDH1A1
SCHEMBL11260229 0.77 HTR2A (0.39) HTR2CHTR2AHTR2BADRA2AADRA2B
Hydrochloric Acid SCHEMBL11270222 0.76 HTR2A (0.38) HTR2CHTR2AHTR2BGAAADRA2A
SCHEMBL11275332 0.75 MAPT (0.36) HTR2CGAAALDH1A1MAPTHPGD
SCHEMBL11280825 0.74 HTR2C (0.38) HTR2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4328238-A ANTIDEPRESSANTS, ANTISECRETORY, AND ANTIULCER AGENTS SANKYO COMPANY LIMITED (JP) 1982-05-04 US claimed
US-4328238-A ANTIDEPRESSANTS, ANTISECRETORY, AND ANTIULCER AGENTS SANKYO COMPANY LIMITED (JP) 1982-05-04 US disclosed