SCHEMBL5500749

SCHEMBL5500749

CC(C)(C)c1ccc(CC2(O)CCCC(N3CCCC3=O)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HSD11B1 P28845 4/20 0.36
VNN1 O95497 2/20 0.35
SCN5A Q14524 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
TACR1 P25103 2/20 0.33
CTSS P25774 1/20 0.33
TACR2 P21452 1/20 0.33
TACR3 P29371 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL5507063 0.73 MEN1 (0.39) MEN1KMT2ANPC1MITFSMN1; SMN2
SCHEMBL5501116 0.68 HSD11B1 (0.39) HSD11B1DPP4DPP8DPP9CTSS
SCHEMBL28914554 0.68 OPRL1 (0.44)
SCHEMBL20354276 0.64 L3MBTL1 (0.59) MEN1KMT2ANPC1MITFSMN1; SMN2
SCHEMBL12786721 0.63 HSD11B1 (0.67) ALDH1A1HSD11B1
SCHEMBL14386169 0.62 DPP4 (0.41) VNN1DPP4DPP8DPP9
SCHEMBL26022764 0.62 MAPK1 (0.41) MEN1KMT2AVNN1TACR1
SCHEMBL11842283 0.61 NOS3 (0.45) KMT2ANPC1DPP4DPP8DPP9
SCHEMBL6335314 0.61 NOS3 (0.45) KMT2ANPC1DPP4DPP8DPP9
SCHEMBL23328569 0.61 MEN1 (0.42) MEN1KMT2AALDH1A1HSD11B1

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
EP-1807072-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-07-18 EP disclosed
WO-2006049952-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-05-11 WO disclosed