SCHEMBL8636934

SCHEMBL8636934

O=C(O)CCC(Oc1ccccc1)N1CCN(c2ccncc2)C(c2ccccc2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADAM17 P78536 1/20 0.35
ITGB3 P05106 4/20 0.33
ITGA2B P08514 4/20 0.33
CYP2C9 P11712 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
RIPK1 Q13546 1/20 0.33
P2RY12 Q9H244 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 1/20 0.33
SCD O00767 1/20 0.32
DPP8 Q6V1X1 1/20 0.32

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
SCHEMBL8634865 0.90 GAA (0.38) MAPTNPSR1GAAL3MBTL1ADAM17
SCHEMBL8632567 0.87 GFER (0.39) MAPTNPSR1ITGB3ITGA2BCYP2C9
Hydrochloric Acid SCHEMBL8637210 0.86 GFER (0.38) MAPTNPSR1ITGB3ITGA2BMAPK1
SCHEMBL8633503 0.79 MAPT (0.34) MAPTNPSR1ITGB3ITGA2BCYP2C9
SCHEMBL8637925 0.77 GFER (0.38) GAAMAPK1ALDH1A1TSHR
SCHEMBL8632725 0.74 ALDH1A1 (0.36) NPSR1GAAL3MBTL1ALDH1A1
SCHEMBL27442362 0.72 GAA (0.43) MAPTNPSR1GAAITGB3ITGA2B
SCHEMBL7450096 0.72 ITGB3 (0.42) ITGB3ITGA2BCYP2C9SMN1; SMN2MAPK1
SCHEMBL7400228 0.71 ITGB3 (0.40) MAPTITGB3ITGA2BCYP2C9SMN1; SMN2
SCHEMBL7403452 0.69 ITGB3 (0.37) ITGB3ITGA2BCYP2C9SMN1; SMN2MAPK1

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
US-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed