SCHEMBL13450146

SCHEMBL13450146

CC1CCC(Oc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.53
SLC6A3 Q01959 5/20 0.53
SLC6A4 P31645 4/20 0.52
HRH1 P35367 2/20 0.50
MCHR1 Q99705 1/20 0.44
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
FFAR4 Q5NUL3 2/20 0.40
CHRNB2 P17787 4/20 0.38
CHRNB4 P30926 4/20 0.38
CHRNA3 P32297 4/20 0.38
CHRNA7 P36544 4/20 0.38
CHRNA4 P43681 4/20 0.38
CHRNA10 Q9GZZ6 3/20 0.38
CHRNA9 Q9UGM1 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
HTR1A P08908 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
SCHEMBL14118560 0.89 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4HRH1MCHR1
SCHEMBL25740887 0.89 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4HRH1MCHR1
SCHEMBL1931211 0.88 HRH1 (0.59) SLC6A2SLC6A3SLC6A4HRH1MCHR1
SCHEMBL14654961 0.88 HRH1 (0.59) SLC6A2SLC6A3SLC6A4HRH1MCHR1
SCHEMBL19641737 0.85 SLC6A2 (0.58) SLC6A2SLC6A3SLC6A4HRH1CARM1
SCHEMBL18610915 0.85 SLC6A2 (0.58) SLC6A2SLC6A3SLC6A4HRH1CARM1
SCHEMBL18610907 0.85 SLC6A2 (0.58) SLC6A2SLC6A3SLC6A4HRH1CARM1
SCHEMBL15627269 0.80 SLC6A4 (0.60) SLC6A2SLC6A3SLC6A4MCHR1
SCHEMBL29856 0.80 HRH1 (0.71) SLC6A2SLC6A3SLC6A4HRH1CARM1
Ammonia Solution, Strong SCHEMBL8078606 0.78 HRH1 (0.68) SLC6A2SLC6A3SLC6A4HRH1CARM1

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-1751113-B1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-10 EP disclosed