SCHEMBL8605366

SCHEMBL8605366

N[C@@H](Cc1ccc(OCC2CCN(c3ccncc3)CC2)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.48
ITGB3 P05106 3/20 0.45
ITGA2B P08514 3/20 0.45
ACACB O00763 7/20 0.45
HRH3 Q9Y5N1 3/20 0.41

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
SCHEMBL7449579 1.00 F10 (0.48) F10ITGB3ITGA2BACACBHRH3
SCHEMBL7327020 0.89 ACACB (0.47) F10ITGB3ITGA2BACACB
SCHEMBL7327023 0.89 ACACB (0.47) F10ITGB3ITGA2BACACB
Hydrochloric Acid SCHEMBL7329134 0.88 F10 (0.47) F10ITGB3ITGA2BACACB
Hydrochloric Acid SCHEMBL7329132 0.88 F10 (0.47) F10ITGB3ITGA2BACACB
SCHEMBL7398432 0.84 F10 (0.48) F10ITGB3ITGA2B
SCHEMBL7398480 0.81 ITGB3 (0.53) F10ITGB3ITGA2BHRH3
SCHEMBL27461789 0.80 FFAR4 (0.52) F10ITGB3ITGA2BHRH3
SCHEMBL2923427 0.79 PARP10 (0.58) ITGB3ITGA2BACACB
SCHEMBL2923430 0.79 PARP10 (0.58) ITGB3ITGA2BACACB

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-0691959-B1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LTD (GB) 1998-07-22 EP disclosed
EP-0825184-A1 Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LIMITED (GB) 1998-02-25 EP disclosed