SCHEMBL8047476

SCHEMBL8047476

C1CCC(CNCCN2CCCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.48
ADRA2C P18825 1/20 0.48
SIGMAR1 Q99720 3/20 0.44
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
PRMT8 Q9NR22 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
FPR3 P25089 1/20 0.42
FPR2 P25090 1/20 0.42
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
RAD52 P43351 2/20 0.41
DPP7 Q9UHL4 1/20 0.41

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
SCHEMBL8044995 1.00 CHRM5 (0.48) CHRM5ADRA2CSIGMAR1CARM1PRMT6
SCHEMBL13661593 0.94 CARM1 (0.45) CHRM5ADRA2CSIGMAR1CARM1PRMT6
SCHEMBL9911454 0.92 CARM1 (0.46) CHRM5ADRA2CSIGMAR1CARM1PRMT6
SCHEMBL22856216 0.89 SIGMAR1 (0.49) CHRM5ADRA2CSIGMAR1HRH3FPR3
SCHEMBL7949267 0.89 SIGMAR1 (0.49) CHRM5ADRA2CSIGMAR1HRH3FPR3
SCHEMBL8033603 0.87 SIGMAR1 (0.43) SIGMAR1HRH3FPR3FPR2ADH1B
SCHEMBL25667378 0.85 RAD52 (0.47) SIGMAR1CARM1PRMT6PRMT8CA12
SCHEMBL8046130 0.85 ALDH1A1 (0.50) CA12CA1CA2CA9CYP1A2
SCHEMBL8044535 0.85 SIGMAR1 (0.44) SIGMAR1CARM1PRMT6PRMT8HRH3
SCHEMBL23423425 0.79 ALDH1A1 (0.48) CA12CA1CA2CA9

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
WO-2009071707-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-06-11 WO disclosed