SCHEMBL8905175

SCHEMBL8905175

N=C(NC(=O)OCc1ccccc1)c1ccc2oc(C(=O)NC3CCN(CCC(=O)O)CC3)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.45
ACHE P22303 3/20 0.45
MAOB P27338 1/20 0.43
SLC6A12 P48065 1/20 0.42
SLC6A13 Q9NSD5 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
PTGER4 P35408 3/20 0.41
KCNH2 Q12809 1/20 0.41
MCHR1 Q99705 1/20 0.41
RAB9A P51151 1/20 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
SCHEMBL8904034 0.92 DRD4 (0.42) DRD4ACHEMAOBSLC6A12SLC6A13
SCHEMBL8712887 0.83 ITGB3 (0.58) DRD4ITGB3ITGA2BRAB9A
SCHEMBL8905696 0.82 TAS1R3 (0.44) DRD4ACHEKCNH2MCHR1RAB9A
SCHEMBL8903569 0.81 RAB9A (0.41) ACHEPTGER4RAB9A
SCHEMBL8903566 0.81 RAB9A (0.41) ACHEPTGER4RAB9A
SCHEMBL8904718 0.80 RAB9A (0.40) ITGB3ITGA2BPTGER4RAB9A
SCHEMBL8904717 0.80 RAB9A (0.40) ITGB3ITGA2BPTGER4RAB9A
SCHEMBL8715772 0.80 ACHE (0.45) DRD4ACHEMAOBSLC6A12SLC6A13
SCHEMBL8904935 0.78 RAB9A (0.38) ACHEPTGER4KCNH2RAB9A
SCHEMBL8712906 0.78 TP53 (0.46) MAOBITGB3ITGA2BPTGER4

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-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed