SCHEMBL7327997

SCHEMBL7327997

CO/N=C1/Cc2ccccc2C1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 15/20 0.39
HRH1 P35367 8/20 0.38
HTR2C P28335 3/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
MCHR1 Q99705 1/20 0.36
OPRD1 P41143 1/20 0.35
HTR2B P41595 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
CES2 O00748 1/20 0.35

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
SCHEMBL8651685 1.00 HTR2A (0.39) HTR2AHRH1HTR2CSLC6A2SLC6A4
SCHEMBL8651365 1.00 HTR2A (0.39) HTR2AHRH1HTR2CSLC6A2SLC6A4
SCHEMBL8651612 0.85 HTR2A (0.44) HTR2AHRH1HTR2C
SCHEMBL7330931 0.85 HTR2A (0.44) HTR2AHRH1HTR2C
SCHEMBL8653237 0.83 HTR2A (0.48) HTR2AHRH1
SCHEMBL7329303 0.83 HTR2A (0.48) HTR2AHRH1
SCHEMBL8652379 0.83 HTR2A (0.42) HTR2AHRH1HTR2C
SCHEMBL8653058 0.81 HTR2A (0.40) HTR2AHRH1HTR2C
SCHEMBL7329595 0.81 HTR2A (0.40) HTR2AHRH1HTR2C
SCHEMBL8656929 0.81 HTR2A (0.38) HTR2AHRH1HTR2CSLC6A2SLC6A4

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-0711271-A1 AMINOINDANES AND RELATED COMPOUNDS USEFUL AS CALCIUM-CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-05-15 EP disclosed
WO-1995004027-A1 AMINOINDANES AND RELATED COMPOUNDS USEFUL AS CALCIUM-CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-02-09 WO disclosed