SCHEMBL9047822

SCHEMBL9047822

C[CH]CCCc1c(C)cccc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGS2 P35354 1/20 0.35
CHRM2 P08172 1/20 0.35
HSD17B10 Q99714 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL9045816 0.83 KDM1A (0.43) SMN1; SMN2HTR1AADRA1DADRA1AADRA1B
SCHEMBL9046300 0.83 L3MBTL1 (0.39) SMN1; SMN2HTR1AADRA1DADRA1AADRA1B
SCHEMBL9047524 0.82 PTGS2 (0.42) SMN1; SMN2HTR1AADRA1DADRA1AADRA1B
SCHEMBL9047068 0.81 HTR1A (0.36) SMN1; SMN2HTR1AADRA1DADRA1AADRA1B
SCHEMBL9046868 0.81 LPAR1 (0.42) SMN1; SMN2HTR1AADRA1DADRA1AADRA1B
SCHEMBL14341464 0.80 ALOX5 (0.49) SMN1; SMN2HTR1AADRA1DADRA1AADRA1B
SCHEMBL9045828 0.79 SMN1; SMN2 (0.41) SMN1; SMN2HTR1AADRA1DADRA1AADRA1B
SCHEMBL9045319 0.79 GPR52 (0.46) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL4961769 0.78 ALOX5 (0.42) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL9046887 0.75 TAAR1 (0.39) SMN1; SMN2LMNAKDM4E

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-0690854-A1 1-PHENYL-IMIDAZOL-2-ONE BIPHENYLMETHYL COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1996-01-10 EP disclosed