SCHEMBL21630243

SCHEMBL21630243

CO[SiH](OC)C(CCN(C)C)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.56
HRH1 P35367 5/20 0.56
SLC6A4 P31645 5/20 0.46
CHRM2 P08172 4/20 0.46
SLC6A2 P23975 4/20 0.46
ADRA2A P08913 3/20 0.46
CHRM1 P11229 3/20 0.46
OPRM1 P35372 3/20 0.46
DRD3 P35462 3/20 0.46
SLC6A3 Q01959 3/20 0.46
CYP2D6 P10635 3/20 0.46
LMNA P02545 2/20 0.46
SCN1A P35498 2/20 0.46
SCN2A Q99250 2/20 0.46
SCN3A Q9NY46 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM5 P08912 2/20 0.46
ADRA2B P18089 2/20 0.46
CHRM3 P20309 2/20 0.46
HRH2 P25021 2/20 0.46

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
SCHEMBL2242686 0.88 HTR2A (0.40) HTR2AHRH1SLC6A4CHRM2SLC6A2
SCHEMBL704370 0.80 AOC3 (0.40) HTR2AHRH1OPRM1LMNAOPRK1
SCHEMBL8150241 0.79 HRH1 (0.41) HTR2AHRH1SLC6A4CHRM2SLC6A2
SCHEMBL2244555 0.79 HRH1 (0.50) HTR2AHRH1SLC6A4SLC6A2SLC6A3
SCHEMBL3110907 0.77 SIGMAR1 (0.40) HTR2AOPRM1LMNAOPRK1KDM4E
SCHEMBL19470844 0.77 POLB (0.40) HTR2AOPRM1LMNAKCNH2OPRK1
SCHEMBL8992722 0.77 KCNH2 (0.43) HTR2AHRH1SLC6A4CHRM2SLC6A2
SCHEMBL19470821 0.76 HTR2A (0.41) HTR2AOPRM1KCNH2OPRK1SMN1; SMN2
SCHEMBL19470838 0.76 HTR2A (0.41) HTR2AOPRM1KCNH2OPRK1SMN1; SMN2
SCHEMBL19470848 0.76 HTR2A (0.41) HTR2AOPRM1KCNH2OPRK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11292862-B2 Modified conjugated diene-based polymer, polymer composition, and rubber composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2022-04-05 US disclosed
US-11225534-B2 Modified conjugated diene-based polymer, polymer composition, and rubber composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2022-01-18 US disclosed
US-20200199258-A1 Modified Conjugated Diene-Based Polymer, Polymer Composition, and Rubber Composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-06-25 US disclosed
EP-3617237-A1 MODIFIED CONJUGATED DIENE POLYMER, POLYMER COMPOSITION, AND RUBBER COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2020-03-04 EP disclosed
US-20200031975-A1 Modified Conjugated Diene-Based Polymer, Polymer Composition, and Rubber Composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-01-30 US disclosed