SCHEMBL14272829

SCHEMBL14272829

CCOC(=O)C1=CC2(CCN(C(=O)OC(C)(C)C)CC2)c2cc(C)c(C)cc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ADORA1 P30542 1/20 0.37
GPR119 Q8TDV5 3/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
PDK2 Q15119 1/20 0.36
ACACB O00763 2/20 0.36
ATM Q13315 1/20 0.36
GNRHR P30968 1/20 0.35
APP P05067 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 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
SCHEMBL14272857 0.92 L3MBTL1 (0.42) L3MBTL1MEN1ALDH1A1LMNAGAA
SCHEMBL13542617 0.88 GPR119 (0.41) L3MBTL1MEN1ALDH1A1LMNAGAA
SCHEMBL7624926 0.85 PDK2 (0.45) MEN1ALDH1A1LMNAGAAKMT2A
SCHEMBL14272830 0.74 PDK2 (0.39) L3MBTL1GPR119PDK2ACACBATM
SCHEMBL8316463 0.73 MEN1 (0.42) MEN1ALDH1A1LMNAGAAKMT2A
SCHEMBL31693911 0.73 PDK2 (0.40) L3MBTL1MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6588671 0.73 PDK2 (0.47) ALDH1A1GPR119PDK2ATMALOX15
SCHEMBL31693830 0.72 PDK2 (0.41) ALDH1A1LMNASMN1; SMN2NPSR1GPR119
SCHEMBL14272825 0.71 L3MBTL1 (0.42) L3MBTL1MEN1KMT2ASMN1; SMN2GPR119
SCHEMBL3723723 0.70 ATM (0.44) L3MBTL1MEN1ALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329673-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-02-12 US disclosed
US-7329673-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-02-12 US disclosed