SCHEMBL8774648

SCHEMBL8774648

C=CC(c1ccccc1)N1CC(C)[Si]1(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.37
CYP17A1 P05093 1/20 0.33
SIGMAR1 Q99720 3/20 0.31
CYP2D6 P10635 2/20 0.30
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD1 P21728 1/20 0.30
SLC6A2 P23975 1/20 0.30
ADRA1A P35348 1/20 0.30
OPRM1 P35372 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8760983 0.72 CYP17A1 (0.35) OPRD1CYP17A1CYP2D6CHRM2HTR1A
SCHEMBL18762175 0.69 SIGMAR1 (0.43) OPRD1SIGMAR1CYP2D6CHRM2HTR1A
SCHEMBL2579537 0.66 CYP2D6 (0.48) OPRD1CYP17A1SIGMAR1CYP2D6CHRM2
SCHEMBL11010784 0.66 GRM2 (0.41) OPRD1KMT2A
SCHEMBL10839513 0.66 CYP17A1 (0.35) OPRD1CYP17A1CYP2D6CHRM2ADRA2A
SCHEMBL9283446 0.64 CYP17A1 (0.38) OPRD1CYP17A1CYP2D6KCNH2KMT2A
SCHEMBL3294321 0.64 CYP2D6 (0.55) OPRD1CYP17A1CYP2D6CHRM2ADRA2A
SCHEMBL986928 0.64 CYP2D6 (0.59) CYP2D6CHRM2HTR1AADRA2ACHRM1
SCHEMBL29078122 0.63 CYP17A1 (0.51) CYP17A1KMT2A
SCHEMBL6837651 0.62 CYP1A2 (0.57) CYP2D6KCNH2KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0578185-B1 1-aza-2-silacyclobutane compounds and method for their preparation DOW CORNING KK (JP) 1997-09-17 EP claimed
US-5281737-A 1-aza-2-silacyclobutane compounds and method for their preparation DOW CORNING JAPAN, LTD. (JP) 1994-01-25 US claimed
EP-0578185-A1 1-AZA-2-silacyclobutane compounds and method for their preparation DOW CORNING JAPAN, LTD. (JP) 1994-01-12 EP claimed
EP-0578185-B1 1-aza-2-silacyclobutane compounds and method for their preparation DOW CORNING KK (JP) 1997-09-17 EP disclosed
US-5281737-A 1-aza-2-silacyclobutane compounds and method for their preparation DOW CORNING JAPAN, LTD. (JP) 1994-01-25 US disclosed
EP-0578185-A1 1-AZA-2-silacyclobutane compounds and method for their preparation DOW CORNING JAPAN, LTD. (JP) 1994-01-12 EP disclosed