SCHEMBL9036766

SCHEMBL9036766

CN1CCCC(CN(C)C2CCCCCCC2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
ADRA1B P35368 1/20 0.37
HRH3 Q9Y5N1 4/20 0.36
HRH4 Q9H3N8 1/20 0.36
MCHR1 Q99705 2/20 0.36
CHRM1 P11229 3/20 0.35
CHRM2 P08172 2/20 0.35
ADRA2A P08913 2/20 0.35
DRD1 P21728 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
ADRA1A P35348 2/20 0.35
OPRM1 P35372 2/20 0.35
DRD3 P35462 2/20 0.35
KCNH2 Q12809 2/20 0.35
HRH1 P35367 2/20 0.35
CYP2D6 P10635 2/20 0.35
ABCB11 O95342 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35

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
SCHEMBL13046389 0.83 ADRA1B (0.41) SIGMAR1ADRA1BMCHR1CHRM1HRH1
SCHEMBL19720283 0.82 ADRA1B (0.48) SIGMAR1ADRA1BHRH3HRH4CHRM1
SCHEMBL13711904 0.82 ADRA1B (0.48) SIGMAR1ADRA1BHRH3HRH4CHRM1
SCHEMBL10202212 0.81 NCF1 (0.43) HTR2AHTR2C
SCHEMBL13711851 0.80 ADRA1B (0.46) SIGMAR1ADRA1BHRH3HRH4MCHR1
SCHEMBL23128851 0.79 NCF1 (0.45) SIGMAR1ADRA1BMCHR1TMEM97
SCHEMBL17285991 0.78 HRH3 (0.39) SIGMAR1HRH3CHRM1CHRM2ADRA2A
SCHEMBL17286011 0.78 HRH3 (0.39) SIGMAR1HRH3CHRM1CHRM2ADRA2A
SCHEMBL7853848 0.78 HRH3 (0.39) SIGMAR1HRH3CHRM1CHRM2ADRA2A
SCHEMBL13280102 0.78 ADRA1B (0.44) SIGMAR1ADRA1BHRH3HRH4SLC6A2

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