SCHEMBL9035083

SCHEMBL9035083

[CH2]CCCN1CCC(CCCO)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 9/20 0.45
CHRM2 P08172 7/20 0.45
CHRM4 P08173 7/20 0.45
CHRM5 P08912 7/20 0.45
CHRM3 P20309 7/20 0.45
DRD2 P14416 4/20 0.45
DRD4 P21917 4/20 0.45
DRD3 P35462 3/20 0.45
GNAO1 P09471 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
ACHE P22303 1/20 0.38
HRH1 P35367 2/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
LTA4H P09960 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
SCHEMBL3954938 0.87 CHRM1 (0.43) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL8054785 0.84 CHRM2 (0.46) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL3424285 0.80 ACHE (0.48) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL7321984 0.80 GNAO1 (0.59) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL3954095 0.79 SLC18A3 (0.42) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL3955932 0.79 CHRM2 (0.36) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL706462 0.78 SLC18A3 (0.44) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL2148991 0.78 GNAO1 (0.53) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL5034030 0.76 CHRM1 (0.49) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL25274547 0.76 CHRM1 (0.38) CHRM1CHRM2CHRM4CHRM5CHRM3

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