SCHEMBL8714853

SCHEMBL8714853

CC(C)(C)OC(=O)CO[C@H]1CC[C@H](NC(=O)c2cc3ccc(C#N)cc3s2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.50
UTS2R Q9UKP6 4/20 0.48
DHPS P49366 1/20 0.41
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR3A P46098 1/20 0.40
DRD2 P14416 2/20 0.39
CETP P11597 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
ABCB1 P08183 1/20 0.36
HPGDS O60760 1/20 0.36
ACKR3 P25106 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 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
SCHEMBL8904290 1.00 CHRNA7 (0.50) CHRNA7UTS2RDHPSRAB9AMEN1
SCHEMBL8712786 0.83 F10 (0.40) CHRNA7RAB9AMEN1KMT2ANPC1
SCHEMBL8904715 0.83 F10 (0.40) CHRNA7RAB9AMEN1KMT2ANPC1
SCHEMBL8903628 0.81 DRD2 (0.49) DRD2DRD4DRD3
SCHEMBL8713035 0.81 DRD2 (0.49) DRD2DRD4DRD3
SCHEMBL8715642 0.79 CETP (0.43) RAB9ADRD2CETPNPC1ABCB1
SCHEMBL8904008 0.79 CETP (0.43) RAB9ADRD2CETPNPC1ABCB1
SCHEMBL8904014 0.79 DRD2 (0.39) RAB9ADRD2CETPNPC1ABCB1
SCHEMBL8903418 0.76 DRD2 (0.38) RAB9ADRD2CETPNPC1ABCB1
SCHEMBL8712451 0.76 DHPS (0.45) CHRNA7DHPSKMT2AHTR3ACETP

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