SCHEMBL7876832

SCHEMBL7876832

N#Cc1cc(F)ccc1C1CC[NH+]([O-])CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.36
ABL1 P00519 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ADRA1D P25100 4/20 0.34
ADRA1A P35348 4/20 0.34
ADRA1B P35368 4/20 0.34
SLC22A12 Q96S37 1/20 0.34
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
HRH1 P35367 2/20 0.33
EPAS1 Q99814 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CHRNB2 P17787 1/20 0.32

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
SCHEMBL7867807 0.78 SLC6A2 (0.49) HTR1ASLC6A2SLC6A4SLC6A3CHRNB2
Hydrochloric Acid SCHEMBL7874318 0.77 SLC6A2 (0.48) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL5115814 0.76 ADRA1D (0.43) SCN9AADRA1DADRA1AADRA1BADRA2A
SCHEMBL3749991 0.73 SCN9A (0.44) SCN9AFFAR4SLC22A12EPAS1HCRTR1
SCHEMBL24877474 0.72 SLC6A2 (0.38) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL8003983 0.71 ADRA1D (0.47) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL7661363 0.69 ADRA1D (0.51) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL7965565 0.69 TRPC3 (0.38) FFAR4HTR1A
SCHEMBL7876830 0.69 OPRL1 (0.42) FFAR4ADRA1DADRA1AADRA1BADRA2A
SCHEMBL24877518 0.69 DRD2 (0.41) ADRA1DADRA1AADRA1BADRA2AADRA2B

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
US-6316437-B1 ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. 2001-11-13 US disclosed