SCHEMBL11114670

SCHEMBL11114670

N#CNc1ccc(C2OCc3ccccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CHRM3 P20309 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
HRH1 P35367 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 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
SCHEMBL5439029 0.77 SMN1; SMN2 (0.54) SMN1; SMN2LMNACHRM2CHRM1ADRA2B
SCHEMBL11504099 0.74 SLC6A2 (0.42) SMN1; SMN2LMNACHRM2CHRM1ADRA2B
SCHEMBL4837968 0.74 PRCP (0.46) SMN1; SMN2LMNACHRM2CHRM1ADRA2B
SCHEMBL11504376 0.74 SMN1; SMN2 (0.47) SMN1; SMN2LMNACHRM2CHRM1ADRA2B
SCHEMBL11503897 0.69 SMN1; SMN2 (0.43) SMN1; SMN2LMNACHRM2CHRM1ADRA2B
SCHEMBL11503928 0.67 CYP2C19 (0.45) SMN1; SMN2LMNACHRM2CHRM1ADRA2B
SCHEMBL10358825 0.66 SLC6A4 (0.32) SLC6A4
SCHEMBL831 0.65 SLC6A2 (0.34) SMN1; SMN2LMNASLC6A2HTR2ASLC6A4
SCHEMBL8985134 0.64 ALDH1A1 (0.32)
SCHEMBL11504255 0.64 NISCH (0.39) SMN1; SMN2LMNACHRM2CHRM1ADRA2B

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-0102052-A2 Heat-resistant resin, thermosetting composition affording the same and prepolymer thereof HITACHI, LTD. (JP) 1984-03-07 EP disclosed