SCHEMBL9036617

SCHEMBL9036617

[CH2]C(C)CC1CCCN(C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.36
ADRA2A P08913 2/20 0.36
CHRM1 P11229 2/20 0.36
DRD1 P21728 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
ADRA1A P35348 2/20 0.36
OPRM1 P35372 2/20 0.36
DRD3 P35462 2/20 0.36
KCNH2 Q12809 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
ABCB11 O95342 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2B P18089 1/20 0.36
CHRM3 P20309 1/20 0.36
PTGS1 P23219 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL4685869 0.88 NCF1 (0.41) CHRM2CHRM1CHRM3CYP2D6NCF1
SCHEMBL9925436 0.83 CHRM2 (0.38) CHRM2ADRA2ACHRM1DRD1SLC6A2
SCHEMBL19010165 0.83 CHRM2 (0.38) CHRM2ADRA2ACHRM1DRD1SLC6A2
SCHEMBL19010154 0.83 CHRM2 (0.38) CHRM2ADRA2ACHRM1DRD1SLC6A2
SCHEMBL27356070 0.78 CHRM2 (0.36) CHRM2ADRA2ACHRM1DRD1SLC6A2
SCHEMBL19122763 0.78 CHRM5 (0.35) CHRM2ADRA2ACHRM1DRD1SLC6A2
SCHEMBL13570038 0.77 CTSL (0.38) CHRM2ADRA2ACHRM1DRD1SLC6A2
SCHEMBL21506154 0.77 CHRM2 (0.35) CHRM2ADRA2ACHRM1DRD1SLC6A2
SCHEMBL12953196 0.77 CHRM2 (0.35) CHRM2ADRA2ACHRM1DRD1SLC6A2
SCHEMBL24482206 0.77 CHRM2 (0.33) CHRM2ADRA2ACHRM1DRD1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0450066-B1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1996-09-11 EP disclosed
US-5401740-A FOR INHIBITING PLATELET AGGREGATION OTSUKA PHARMACEUTICAL CO. (JP) 1995-03-28 US disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
EP-0450066-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-09 EP disclosed