SCHEMBL7399368

SCHEMBL7399368

O=C(O)C1CCCC(Oc2ccc(N3CCN(c4ccncc4)CC3)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 7/20 0.46
ITGB3 P05106 3/20 0.44
ITGA2B P08514 3/20 0.44
HRH3 Q9Y5N1 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
SLCO1B1 Q9Y6L6 2/20 0.42
ACACB O00763 3/20 0.41
NAMPT P43490 1/20 0.39

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
SCHEMBL7399544 0.87 ALDH1A1 (0.46) ITGB3ITGA2BHRH3ALDH1A1GAA
SCHEMBL7402061 0.85 HRH3 (0.48) FFAR4ITGB3ITGA2BHRH3ALDH1A1
SCHEMBL7399602 0.85 FFAR4 (0.48) FFAR4HRH3ALDH1A1
SCHEMBL7400365 0.77 ITGB3 (0.48) FFAR4ITGB3ITGA2BHRH3ACACB
SCHEMBL10188580 0.76 FFAR4 (0.52) FFAR4
SCHEMBL22252621 0.75 FFAR4 (0.50) FFAR4HRH3SLCO1B1
SCHEMBL22463663 0.75 PARP10 (0.46) FFAR4SLCO1B1
SCHEMBL22252517 0.75 FFAR4 (0.50) FFAR4HRH3SLCO1B1
SCHEMBL22578254 0.75 PARP10 (0.46) FFAR4SLCO1B1
SCHEMBL22256603 0.75 FFAR4 (0.50) FFAR4HRH3SLCO1B1

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
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed