SCHEMBL27445589

SCHEMBL27445589

NCc1cc(N2CCN(c3ccncc3)CC2)ccc1CCCCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.49
ITGA2B P08514 12/20 0.49
CHRM1 P11229 1/20 0.43
DRD4 P21917 1/20 0.42
SLC6A4 P31645 1/20 0.42
FFAR4 Q5NUL3 2/20 0.40
AOC3 Q16853 1/20 0.39
F10 P00742 1/20 0.39
S1PR5 Q9H228 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
SCHEMBL27442372 0.87 CHRM1 (0.41) ITGB3ITGA2BCHRM1DRD4SLC6A4
SCHEMBL7493723 0.85 ITGB3 (0.50) ITGB3ITGA2BCHRM1DRD4SLC6A4
SCHEMBL27462190 0.83 ITGB3 (0.48) ITGB3ITGA2BCHRM1DRD4SLC6A4
SCHEMBL7399785 0.78 ITGB3 (0.50) ITGB3ITGA2BCHRM1DRD4SLC6A4
SCHEMBL7399787 0.74 ITGB3 (0.48) ITGB3ITGA2BCHRM1DRD4SLC6A4
SCHEMBL8888301 0.73 ITGB3 (0.45) ITGB3ITGA2BF10
SCHEMBL27462189 0.73 ITGB3 (0.46) ITGB3ITGA2BCHRM1DRD4SLC6A4
SCHEMBL8890373 0.73 ITGB3 (0.60) ITGB3ITGA2B
SCHEMBL7493712 0.72 DRD4 (0.61) ITGB3ITGA2BDRD4SLC6A4FFAR4
Hydrochloric Acid SCHEMBL9023742 0.72 DRD4 (0.60) ITGB3ITGA2BDRD4SLC6A4

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
CN-1120334-A Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LTD (GB) 1996-04-10 CN disclosed