SCHEMBL382605

SCHEMBL382605

CC(C)(C)OC(=O)n1c(NC2CCN(c3ccc(C(=O)NC(N)CC(=O)O)cc3)CC2)nc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR119 Q8TDV5 3/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
HDAC1 Q13547 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MMP3 P08254 2/20 0.36
MMP7 P09237 2/20 0.36
MMP10 P09238 2/20 0.36
MMP12 P39900 2/20 0.36
MMP8 P22894 1/20 0.36
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL382606 0.86 SMN1; SMN2 (0.42) CASRSMN1; SMN2MEN1CYP2C19KMT2A
SCHEMBL381928 0.86 ITGB3 (0.40) CASRSMN1; SMN2MEN1CYP2C19KMT2A
SCHEMBL382554 0.84 MMP13 (0.39) CASRSMN1; SMN2HDAC1LMNAKCNH2
SCHEMBL382575 0.83 SMN1; SMN2 (0.36) CASRSMN1; SMN2MEN1CYP2C19KMT2A
SCHEMBL420521 0.83 SMN1; SMN2 (0.41) CASRSMN1; SMN2MEN1CYP2C19KMT2A
SCHEMBL7860292 0.82 MAPT (0.39) CASRSMN1; SMN2CYP2C19HTTLMNA
SCHEMBL383240 0.82 SMN1; SMN2 (0.42) CASRSMN1; SMN2MEN1CYP2C19KMT2A
SCHEMBL381926 0.80 ITGB3 (0.46) SMN1; SMN2MEN1CYP2C19KMT2AHTT
SCHEMBL382798 0.79 NR1H2 (0.38) SMN1; SMN2MEN1CYP2C19KMT2AGPR119
SCHEMBL7860398 0.79 SMN1; SMN2 (0.36) CASRSMN1; SMN2MEN1CYP2C19KMT2A

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