SCHEMBL8637208

SCHEMBL8637208

CCC(=O)Oc1ccc(OCC2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.49
HRH3 Q9Y5N1 5/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
ACACB O00763 5/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43

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
SCHEMBL8637204 0.85 HRH3 (0.44) F10HRH3ITGB3ITGA2BCCNC
SCHEMBL7405501 0.84 F10 (0.49) F10HRH3ITGB3ITGA2BACACB
SCHEMBL7398480 0.82 ITGB3 (0.53) F10HRH3ITGB3ITGA2B
SCHEMBL9760074 0.81 DRD2 (0.55) F10ACACB
SCHEMBL7401249 0.80 F10 (0.49) F10ACACB
SCHEMBL5632401 0.79 F10 (0.55) F10HRH3
SCHEMBL9760771 0.79 F10 (0.49) F10ITGB3ITGA2BACACB
SCHEMBL7398432 0.78 F10 (0.48) F10ITGB3ITGA2B
SCHEMBL7336334 0.78 F10 (0.46) F10ITGB3ITGA2BACACB
SCHEMBL8681292 0.77 F10 (0.51) F10HRH3

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
US-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed
US-5728701-A INHIBIT PLATELET AGGREGATION ZENECA LIMITED (GB) 1998-03-17 US disclosed