SCHEMBL19914895

SCHEMBL19914895

CC1CNCCc2cc(-c3ccccc3F)ccc21

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 19/20 0.56
HTR2A P28223 17/20 0.56
HTR2B P41595 16/20 0.56
ADRB1 P08588 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
CNR1 P21554 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
HRH1 P35367 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL14360641 0.91 HTR2C (0.61) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL5440621 0.91 HTR2C (0.61) HTR2CHTR2AHTR2BADRB1HTR1A
Hydrochloric Acid SCHEMBL5450784 0.90 HTR2C (0.59) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL1095079 0.88 HTR2C (0.58) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL1095078 0.88 HTR2C (0.58) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL1095185 0.88 HTR2C (0.58) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL19914890 0.85 HTR2C (0.57) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL1094263 0.84 HTR2C (0.62) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL1105037 0.84 HTR2C (0.62) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL1094262 0.84 HTR2C (0.62) HTR2CHTR2AHTR2BADRB1HTR1A

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-2374796-B1 8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, its salts, solvates or hydrates and its use for the treatment of CNS disorderes ARENA PHARM INC (US) 2018-02-28 EP disclosed