SCHEMBL8633873

SCHEMBL8633873

O=C(O)COc1ccccc1OC1CCN(c2ccncc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.53
ITGA2B P08514 6/20 0.53
HRH3 Q9Y5N1 2/20 0.46
F10 P00742 2/20 0.45
HRH1 P35367 2/20 0.45
CCR3 P51677 2/20 0.45
KCNH2 Q12809 2/20 0.45
FFAR4 Q5NUL3 2/20 0.45
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
LSS P48449 1/20 0.42

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
SCHEMBL7961307 0.83 F10 (0.52) HRH3F10HRH1
SCHEMBL7399643 0.83 HRH1 (0.57) ITGB3ITGA2BHRH3HRH1CCR3
SCHEMBL7398480 0.73 ITGB3 (0.53) ITGB3ITGA2BHRH3F10HRH1
SCHEMBL8633871 0.72 CYP2C9 (0.53) ITGB3ITGA2BHRH3F10FFAR4
SCHEMBL7399619 0.71 ITGB3 (0.51) ITGB3ITGA2BHRH3HRH1CCR3
SCHEMBL7401896 0.71 HRH3 (0.62) ITGB3ITGA2BHRH3SMN1; SMN2LSS
SCHEMBL7961303 0.71 F10 (0.54) HRH3F10HRH1FFAR4
SCHEMBL7332909 0.71 ACACB (0.47) ITGB3ITGA2BHRH3F10HRH1
SCHEMBL7955317 0.70 HRH1 (0.47) HRH3HRH1FFAR4
SCHEMBL4375414 0.70 TSHR (0.70) L3MBTL1

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 3 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-5750754-A TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS ZENECA LIMITED (GB) 1998-05-12 US disclosed
US-5728701-A INHIBIT PLATELET AGGREGATION ZENECA LIMITED (GB) 1998-03-17 US disclosed