SCHEMBL8712830

SCHEMBL8712830

CC(C)(C)OC(=O)CCC1CCC(NC(=O)c2cc3cc(C#N)ccc3o2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
DRD3 P35462 7/20 0.43
DRD4 P21917 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41
HTR2A P28223 3/20 0.40
HTR1A P08908 2/20 0.40
UGCG Q16739 2/20 0.39
KCNH2 Q12809 1/20 0.39
MCHR1 Q99705 1/20 0.39
POLB P06746 1/20 0.38

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 0.86 CETP (0.43) DRD2RAB9ANPC1DRD3DRD4
SCHEMBL8715642 0.86 CETP (0.43) DRD2RAB9ANPC1DRD3DRD4
SCHEMBL8904810 0.84 ITGB3 (0.48) DRD2RAB9ANPC1HTR2AHTR1A
SCHEMBL8904025 0.84 DRD2 (0.45) DRD2DRD3HTR2AMCHR1
SCHEMBL8717762 0.84 ITGB3 (0.48) DRD2RAB9ANPC1HTR2AHTR1A
SCHEMBL8904717 0.76 RAB9A (0.40) DRD2RAB9ANPC1HTR2AHTR1A
SCHEMBL8904718 0.76 RAB9A (0.40) DRD2RAB9ANPC1HTR2AHTR1A
SCHEMBL8715492 0.75 ITGB3 (0.50) DRD2RAB9ANPC1HTR2AHTR1A
SCHEMBL8715681 0.73 MAPT (0.46) DRD2RAB9ANPC1DRD3DRD4
SCHEMBL23920230 0.73 ACACB (0.48) RAB9ANPC1

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