SCHEMBL4563607

SCHEMBL4563607

CNc1ccccc1Nc1ccc(C2CCN(CCN(C)C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
NAMPT P43490 2/20 0.41
SLC18A3 Q16572 1/20 0.39
OPRM1 P35372 4/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
JAK2 O60674 4/20 0.38
JAK3 P52333 4/20 0.38
PTK2 Q05397 4/20 0.38
KDM1A O60341 1/20 0.38
OPRL1 P41146 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
PRCP P42785 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
SCHEMBL4563609 0.88 NAMPT (0.43) HRH3NAMPTCYP3A4CYP2C9HDAC1
SCHEMBL14012694 0.80 HRH3 (0.47) HRH3NAMPTSLC18A3OPRM1KDM1A
SCHEMBL4564074 0.79 SIGMAR1 (0.47) HRH3NAMPTOPRM1SIGMAR1
SCHEMBL5805849 0.75 HRH3 (0.45) HRH3SLC18A3OPRM1KDM1A
SCHEMBL14012682 0.75 HRH3 (0.46) HRH3SLC18A3OPRM1KDM1AOPRL1
SCHEMBL4564154 0.74 HRH3 (0.43) HRH3SLC18A3OPRM1KDM1A
SCHEMBL14012686 0.72 MAPT (0.45) HRH3SIGMAR1
SCHEMBL5067024 0.71 MCHR1 (0.48)
SCHEMBL5821272 0.71 HRH3 (0.40) HRH3CARM1
SCHEMBL5805777 0.70 SIGMAR1 (0.41) HRH3SIGMAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137158-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) MethylGene Inc. (CA) 2009-12-30 EP disclosed
WO-2008104077-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) METHYLGENE INC. (CA) 2008-09-04 WO disclosed