SCHEMBL8904014

SCHEMBL8904014

CC(C)(C)OC(=O)COC1CCC(NC(=O)c2occ3cc(C#N)ccc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.39
CETP P11597 7/20 0.39
ABCB1 P08183 1/20 0.36
MCHR1 Q99705 2/20 0.35
ADRA2A P08913 1/20 0.35
PDE4B Q07343 1/20 0.35
HPGDS O60760 1/20 0.35
DRD3 P35462 4/20 0.34
IRAK4 Q9NWZ3 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTR2A P28223 1/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL8904025 0.86 DRD2 (0.45) DRD2ABCB1MCHR1ADRA2APDE4B
SCHEMBL8903418 0.85 DRD2 (0.38) DRD2CETPABCB1MCHR1PDE4B
SCHEMBL8903365 0.84 ITGB3 (0.38) HPGDS
SCHEMBL8904008 0.84 CETP (0.43) DRD2CETPABCB1MCHR1DRD3
SCHEMBL8715642 0.84 CETP (0.43) DRD2CETPABCB1MCHR1DRD3
SCHEMBL8904770 0.83 CETP (0.37) DRD2CETPABCB1HPGDSIRAK4
SCHEMBL8905478 0.82 NPC1 (0.46) CETPMCHR1NPC1RAB9A
SCHEMBL8716441 0.82 NPC1 (0.46) CETPMCHR1NPC1RAB9A
SCHEMBL8904764 0.81 CETP (0.40) DRD2CETPABCB1IRAK4NPC1
SCHEMBL8713211 0.81 CETP (0.40) DRD2CETPABCB1IRAK4NPC1

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