SCHEMBL8637204

SCHEMBL8637204

CCC(=O)Oc1ccccc1OCC1CCN(c2ccncc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
F10 P00742 11/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42
LSS P48449 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
F2 P00734 2/20 0.40

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
SCHEMBL8637462 0.88 HRH3 (0.42) HRH3F10CCNCCDK8
SCHEMBL8637208 0.85 F10 (0.49) HRH3F10CCNCCDK8ITGB3
SCHEMBL9760077 0.79 F10 (0.49) F10SMN1; SMN2F2
SCHEMBL5634334 0.77 F10 (0.47) F10IKBKBCHUK
SCHEMBL9032652 0.76 KDM4E (0.51)
SCHEMBL8637213 0.76 F10 (0.44) HRH3F10CCNCCDK8SMN1; SMN2
SCHEMBL8632715 0.75 HRH3 (0.43) HRH3F10CCNCCDK8ITGB3
SCHEMBL7405501 0.74 F10 (0.49) HRH3F10SMN1; SMN2ITGB3ITGA2B
SCHEMBL6794440 0.72 F10 (0.47) HRH3F10ITGB3ITGA2B
SCHEMBL7398480 0.71 ITGB3 (0.53) HRH3F10ITGB3ITGA2B

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