SCHEMBL8715772

SCHEMBL8715772

CCOC(=O)CCN1CCC(NC(=O)c2cc3cc(C(=N)NCc4ccccc4)ccc3o2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.45
MAOB P27338 1/20 0.44
DRD4 P21917 4/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
POLB P06746 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
LMNA P02545 1/20 0.42

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 0.89 DRD4 (0.42) ACHEMAOBDRD4KDM4EALDH1A1
SCHEMBL8905696 0.87 TAS1R3 (0.44) ACHEDRD4KDM4EALDH1A1HPGD
SCHEMBL8715598 0.87 TPSAB1 (0.51) TAS1R3TAS1R1
SCHEMBL8905175 0.80 DRD4 (0.45) ACHEMAOBDRD4SLC6A2SLC6A4
SCHEMBL8904203 0.79 RAB9A (0.44) ACHEMAOBKDM4EALDH1A1HPGD
SCHEMBL8718406 0.79 RAB9A (0.44) ACHEMAOBKDM4EALDH1A1HPGD
SCHEMBL8712955 0.78 RAB9A (0.40) ACHEMAOBKDM4EALDH1A1HPGD
SCHEMBL8905136 0.78 RAB9A (0.40) ACHEMAOBKDM4EALDH1A1HPGD
SCHEMBL8716227 0.77 MAPT (0.49) ALDH1A1HPGDSMN1; SMN2MAPK1MAPT
SCHEMBL8712887 0.76 ITGB3 (0.58) DRD4

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