SCHEMBL4752939

SCHEMBL4752939

CCOC(=O)c1cc(C)n(CC[C@@H]2CNCCN2)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
FAAH O00519 5/20 0.35
ADORA3 P0DMS8 1/20 0.34
PLAT P00750 1/20 0.33
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL4293435 0.81 KMT2A (0.35) KMT2AFAAHADORA3GAA
SCHEMBL12050045 0.75 CYP1A2 (0.45) KMT2AFAAHADORA3GAACYP1A2
SCHEMBL1233462 0.74 CYP1A2 (0.44) KMT2AFAAHADORA3GAACYP1A2
SCHEMBL1232307 0.73 KDM4E (0.44) KMT2AADORA3GAACYP1A2
SCHEMBL1234127 0.72 AURKA (0.52) KMT2AFAAHADORA3GAACYP1A2
SCHEMBL29834790 0.72 CNR2 (0.46) CYP1A2
SCHEMBL19616009 0.72 CNR1 (0.42) KMT2AADORA3GAACYP1A2
SCHEMBL19615649 0.71 CYP1A2 (0.41) KMT2AFAAHADORA3GAACYP1A2
SCHEMBL15964791 0.71 LMNA (0.47) KMT2AFAAHCYP1A2
SCHEMBL1198404 0.70 PTGER1 (0.43) KMT2AADORA3GAACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed