SCHEMBL4752476

SCHEMBL4752476

C[C@@H](OC(=O)N1CCN(C(=O)O[C@H](C)n2c(=O)n(C)c3ccccc32)CC1)n1c(=O)n(C)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.40
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 1/20 0.36
HTR4 Q13639 1/20 0.36
BRD4 O60885 1/20 0.36
BRPF1 P55201 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
SCHEMBL4752572 0.76 POLB (0.56) ALDH1A1HPGD
SCHEMBL12139324 0.71 SLC6A2 (0.50) SLC6A2SMN1; SMN2ALDH1A1HTR4BRD4
SCHEMBL4753544 0.70 CHRM2 (0.37) MAPK1SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL27264999 0.69 SLC6A2 (0.48) SLC6A2SMN1; SMN2ALDH1A1BRD4BRPF1
SCHEMBL4749932 0.69 KMT2A (0.48) SMN1; SMN2HPGDHSD17B10
SCHEMBL4303680 0.69 HSD17B10 (0.47) ALDH1A1HSD17B10GAA
SCHEMBL4752313 0.69 HSD17B10 (0.50) SMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL29311531 0.66 SLC6A2 (0.49) SLC6A2KDM4EALDH1A1HPGDGAA
SCHEMBL29798837 0.65 CYP1A2 (0.55) SMN1; SMN2KDM4EALDH1A1HSD17B10BRD4
SCHEMBL474339 0.65 CYP1A2 (0.55) SMN1; SMN2KDM4EALDH1A1HSD17B10BRD4

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