SCHEMBL19914917

SCHEMBL19914917

CC1CNCCc2ccc(C(C)(F)F)cc21

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.81
HTR2A P28223 19/20 0.81
HTR2B P41595 17/20 0.81
ADRB1 P08588 1/20 0.59
HTR1A P08908 1/20 0.59
ADRA2A P08913 1/20 0.59
ADRA2B P18089 1/20 0.59
ADRA2C P18825 1/20 0.59
CNR1 P21554 1/20 0.59
SLC6A2 P23975 1/20 0.59
SLC6A4 P31645 1/20 0.59
HRH1 P35367 1/20 0.59
KCNH2 Q12809 1/20 0.59

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
SCHEMBL1094137 0.89 HTR2C (1.00) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL1094135 0.89 HTR2C (1.00) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL1096477 0.89 HTR2C (1.00) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL19914899 0.79 HTR2C (0.81) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL1095131 0.78 HTR2C (1.00) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL1095130 0.78 HTR2C (1.00) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL1096101 0.78 HTR2C (1.00) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL15996756 0.76 HTR2C (0.68) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL12151155 0.76 HTR2C (0.68) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL9285425 0.75 HTR2C (0.60) 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