SCHEMBL8555631

SCHEMBL8555631

CC(C)(C)OC(=O)C(Oc1cccnc1)C(=O)CNC(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 10/20 0.43
WDR77 Q9BQA1 10/20 0.43
HDAC6 Q9UBN7 2/20 0.40
CYP2C9 P11712 1/20 0.39
NAMPT P43490 1/20 0.39
GRAMD1A Q96CP6 1/20 0.37
NR1H2 P55055 1/20 0.37
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
ACKR3 P25106 1/20 0.36
MAPT P10636 1/20 0.36
ESR2 Q92731 1/20 0.35
GRM5 P41594 1/20 0.35
GRM1 Q13255 1/20 0.35

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
SCHEMBL8557682 0.86 PRMT5 (0.47) PRMT5WDR77HDAC6
SCHEMBL8832753 0.83 PRMT5 (0.46) PRMT5WDR77HDAC6BRD4CREBBP
SCHEMBL8457084 0.81 PRMT5 (0.45) PRMT5WDR77HDAC6CYP2C9NAMPT
SCHEMBL8318125 0.81 PRMT5 (0.44) PRMT5WDR77HDAC6CYP2C9NAMPT
SCHEMBL8318122 0.79 PRMT5 (0.42) PRMT5WDR77HDAC6CYP2C9NAMPT
SCHEMBL8320720 0.77 ITGB3 (0.46) PRMT5WDR77HDAC6CYP2C9NAMPT
SCHEMBL8835697 0.76 PRMT5 (0.43) PRMT5WDR77HDAC6ACKR3ESR2
SCHEMBL8317913 0.75 ITGB3 (0.42) PRMT5WDR77HDAC6CYP2C9NAMPT
SCHEMBL8317908 0.75 ITGB3 (0.42) PRMT5WDR77HDAC6CYP2C9NAMPT
SCHEMBL8319312 0.74 F2 (0.37) PRMT5WDR77NAMPTGRAMD1ANR1H2

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
EP-0641770-B1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA CO (JP) 1998-05-13 EP disclosed
US-5594004-A CARDIOVASCULAR DISORDERS AND ANTICOAGULANTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-01-14 US disclosed
EP-0641770-A1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-03-08 EP disclosed