SCHEMBL383240

SCHEMBL383240

CC(C)(C)OC(=O)n1c(NC2CCN(c3ccc(C(=O)NCCC(=O)ON)cc3)CC2)nc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CASR P41180 6/20 0.39
GCGR P47871 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GFER P55789 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
NR1H2 P55055 3/20 0.38
HRH3 Q9Y5N1 1/20 0.38
HDAC1 Q13547 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL381927 0.88 SMN1; SMN2 (0.39) SMN1; SMN2MEN1CYP2C19KMT2AHTT
SCHEMBL383381 0.86 CASR (0.38) SMN1; SMN2MEN1CYP2C19KMT2AHTT
SCHEMBL383427 0.86 SMN1; SMN2 (0.38) SMN1; SMN2MEN1CYP2C19KMT2AHTT
SCHEMBL382606 0.85 SMN1; SMN2 (0.42) SMN1; SMN2MEN1CYP2C19KMT2AHTT
SCHEMBL420521 0.84 SMN1; SMN2 (0.41) SMN1; SMN2MEN1CYP2C19KMT2AHTT
SCHEMBL382605 0.82 CASR (0.41) SMN1; SMN2MEN1CYP2C19KMT2AHTT
SCHEMBL381926 0.78 ITGB3 (0.46) SMN1; SMN2MEN1CYP2C19KMT2AHTT
SCHEMBL383038 0.78 SMN1; SMN2 (0.39) SMN1; SMN2MEN1CYP2C19KMT2AHTT
SCHEMBL383380 0.77 ITGB3 (0.45) SMN1; SMN2MEN1CYP2C19KMT2AHTT
SCHEMBL382553 0.77 ITGB3 (0.53) NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US claimed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP claimed
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US disclosed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP disclosed