SCHEMBL383038

SCHEMBL383038

CC(C)(C)OC(=O)n1c(NC2CCN(c3ccc(C(=O)NC[C@](NC(=O)OCc4ccccc4)(C(=O)O)C(C)(C)C)cc3)CC2)nc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
FLT3 P36888 3/20 0.36
KIT P10721 1/20 0.36
FLT1 P17948 2/20 0.36
KDR P35968 2/20 0.36
AURKA O14965 1/20 0.36
NR1H2 P55055 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
NTSR1 P30989 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL381926 0.86 ITGB3 (0.46) SMN1; SMN2MEN1KMT2ACYP2C19NPSR1
SCHEMBL381927 0.84 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2ACYP2C19NPSR1
SCHEMBL420521 0.84 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2ACYP2C19NPSR1
SCHEMBL381928 0.83 ITGB3 (0.40) SMN1; SMN2MEN1KMT2ACYP2C19NPSR1
SCHEMBL381721 0.82 ITGB3 (0.40) MAPTFLT3FLT1KDRAURKA
SCHEMBL383427 0.81 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2ACYP2C19NPSR1
SCHEMBL382606 0.79 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2ACYP2C19NPSR1
SCHEMBL383240 0.78 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2ACYP2C19NPSR1
SCHEMBL382605 0.76 CASR (0.41) SMN1; SMN2MEN1KMT2ACYP2C19NPSR1
SCHEMBL6499269 0.76 VCP (0.40) NPSR1MAPTLMNAKDM4EHDAC1

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
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP claimed