SCHEMBL7842754

SCHEMBL7842754

CC(O)Cc1c[nH]c2cc(Cl)ccc12

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.63
HTR2A P28223 3/20 0.60
ADRB3 P13945 9/20 0.59
SLC6A4 P31645 2/20 0.54
ADRB1 P08588 5/20 0.47
ADRB2 P07550 3/20 0.47
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2C P28335 1/20 0.46
HTR1E P28566 1/20 0.46
HTR7 P34969 1/20 0.46
HTR2B P41595 1/20 0.46
HTR6 P50406 1/20 0.46
SLC6A3 Q01959 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
SCHEMBL25002265 0.88 HTR2A (0.73) GPR84HTR2AADRB3SLC6A4ADRB1
SCHEMBL1304961 0.88 HTR2A (0.73) GPR84HTR2AADRB3SLC6A4ADRB1
SCHEMBL3182374 0.87 GPR84 (0.67) GPR84HTR2AADRB3SLC6A4ADRB1
SCHEMBL24328361 0.82 SMN1; SMN2 (0.67) GPR84HTR2AADRB3SLC6A4
SCHEMBL5149322 0.79 GPR84 (0.59) GPR84HTR2AADRB3SLC6A4ADRB1
SCHEMBL25139528 0.79 GPR84 (0.59) GPR84HTR2AADRB3SLC6A4
SCHEMBL7997808 0.79 HTR2A (0.62) GPR84HTR2AADRB3HTR1AHTR2C
SCHEMBL10079015 0.79 HTR2A (0.57) GPR84HTR2AADRB3SLC6A4HTR1A
SCHEMBL3195765 0.78 GPR84 (0.73) GPR84HTR2AADRB3SLC6A4
SCHEMBL18399535 0.78 GPR84 (0.63) GPR84HTR2AADRB3SLC6A4HTR2C

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
EP-1109784-A1 INDOLINE DERIVATIVES AS 5-HT2B AND/OR 5-HT2C RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2001-06-27 EP disclosed
WO-2000012475-A1 INDOLINE DERIVATIVES AS 5-HT2B AND/OR 5-HT2C RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2000-03-09 WO disclosed