SCHEMBL8715642

SCHEMBL8715642

CC(C)(C)OC(=O)CO[C@H]1CC[C@H](NC(=O)c2cc3cc(C#N)ccc3o2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CETP P11597 9/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
DRD2 P14416 2/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
UGCG Q16739 2/20 0.39
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
ABCB1 P08183 1/20 0.36

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
SCHEMBL8904008 1.00 CETP (0.43) CETPRAB9ANPC1DRD2DRD4
SCHEMBL8712830 0.86 DRD2 (0.45) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL8712899 0.86 CETP (0.43) CETPDRD2DRD4DRD3HRH3
SCHEMBL8713959 0.84 IRAK4 (0.40) CETPRAB9ANPC1
SCHEMBL8906191 0.84 IRAK4 (0.40) CETPRAB9ANPC1
SCHEMBL8712867 0.84 F2 (0.51) RAB9ANPC1
SCHEMBL8904014 0.84 DRD2 (0.39) CETPRAB9ANPC1DRD2DRD3
SCHEMBL8903361 0.84 F2 (0.51) RAB9ANPC1
SCHEMBL8716441 0.82 NPC1 (0.46) CETPRAB9ANPC1MCHR1
SCHEMBL8905478 0.82 NPC1 (0.46) CETPRAB9ANPC1MCHR1

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-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed
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