SCHEMBL8555965

SCHEMBL8555965

CC(C)CS(=O)(=O)CCCC1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.36
ITGA2B P08514 12/20 0.36
NMT1 P30419 4/20 0.35
ITGAV P06756 1/20 0.33
CHRM2 P08172 1/20 0.33
SLC6A4 P31645 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
GNAO1 P09471 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
GNAI3 P08754 1/20 0.32
GNAI1 P63096 1/20 0.32

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
SCHEMBL8557719 0.90 CHRM1 (0.34) ITGB3ITGA2BNMT1ITGAVCHRM2
SCHEMBL8555786 0.79 ITGB3 (0.44) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL25541391 0.79 LMNA (0.33) ITGB3ITGA2BSLC6A4
SCHEMBL7885967 0.77 ITGB3 (0.41) ITGB3ITGA2BNMT1ITGAVCHRM2
Hydrochloric Acid SCHEMBL1906833 0.75 ITGB3 (0.40) ITGB3ITGA2BNMT1ITGAVCHRM2
SCHEMBL24008981 0.74 ITGB3 (0.36) ITGB3ITGA2BNMT1ITGAVCHRM2
SCHEMBL6618139 0.73 LMNA (0.43) ITGB3ITGA2BCHRM1CHRM3GNAO1
SCHEMBL12308362 0.72 GNAO1 (0.39) ITGB3ITGA2BSLC6A4GNAO1HRH3
SCHEMBL8555124 0.72 CHRM1 (0.35) ITGB3ITGA2BNMT1ITGAVCHRM2
SCHEMBL23945815 0.71 GNAO1 (0.38) ITGB3ITGA2BNMT1SLC6A4GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832076-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 EP disclosed