SCHEMBL46979

SCHEMBL46979

CCCCOC(=O)N1CCN(CCCl)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
POLB P06746 2/20 0.56
LMNA P02545 1/20 0.56
HRH2 P25021 14/20 0.54
HRH1 P35367 14/20 0.54
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
ADORA3 P0DMS8 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
OPRM1 P35372 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
MAPT P10636 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL11337882 0.85 ALDH1A1 (0.62) SMN1; SMN2POLBLMNAHRH2HRH1
SCHEMBL9242962 0.85 ALDH1A1 (0.62) SMN1; SMN2POLBLMNAHRH2HRH1
SCHEMBL9405372 0.85 POLB (0.73) SMN1; SMN2POLBLMNAHRH2HRH1
SCHEMBL30404652 0.84 SMN1; SMN2 (0.56) SMN1; SMN2POLBLMNAHRH2HRH1
SCHEMBL3966262 0.84 SMN1; SMN2 (0.56) SMN1; SMN2POLBLMNAHRH2HRH1
Hydrochloric Acid SCHEMBL10760926 0.83 ALDH1A1 (0.61) SMN1; SMN2POLBLMNAHRH2HRH1
SCHEMBL27166403 0.83 HRH2 (0.56) SMN1; SMN2POLBLMNAHRH2HRH1
SCHEMBL29991910 0.83 HRH2 (0.56) SMN1; SMN2POLBLMNAHRH2HRH1
SCHEMBL4199473 0.82 SMN1; SMN2 (0.54) SMN1; SMN2POLBLMNAHRH2HRH1
SCHEMBL5594524 0.82 POLB (0.65) SMN1; SMN2POLBLMNAHRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220640-A1 CDK PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2023-11-16 WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed