SCHEMBL6206088

SCHEMBL6206088

COc1cc2c(cc1C(F)(F)C(F)(F)F)C(CI)CNCC2

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.57
HTR2C P28335 13/20 0.57
HTR2B P41595 13/20 0.57
DRD1 P21728 3/20 0.40
DRD5 P21918 3/20 0.40
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1E P28566 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
TSHR P16473 1/20 0.37
MAOA P21397 1/20 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
SCHEMBL1902950 0.84 HTR2C (0.80) HTR2AHTR2CHTR2B
SCHEMBL1095615 0.84 HTR2C (0.80) HTR2AHTR2CHTR2B
SCHEMBL1095614 0.84 HTR2C (0.80) HTR2AHTR2CHTR2B
SCHEMBL1095283 0.73 HTR2C (1.00) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL1095284 0.73 HTR2C (1.00) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL1907657 0.73 HTR2C (1.00) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL9290580 0.72 HTR2C (0.82) HTR2AHTR2CHTR2B
SCHEMBL14607586 0.72 HTR2C (0.69) HTR2AHTR2CHTR2BDRD1DRD5
SCHEMBL1105042 0.71 HTR2C (0.72) HTR2AHTR2CHTR2BDRD1DRD5
SCHEMBL1095159 0.71 HTR2C (0.72) HTR2AHTR2CHTR2BDRD1DRD5

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-1557409-A1 5HT2C receptor modulators Arena Pharmaceuticals, Inc. (US) 2005-07-27 EP disclosed