SCHEMBL5507063

SCHEMBL5507063

CC(C)(C)c1ccc(CC2CCCC(N3CCCC3=O)C2)cc1

nearest known ligand 0.44

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
CTSS P25774 1/20 0.35
HSD11B1 P28845 3/20 0.35
PREP P48147 1/20 0.35
POLB P06746 1/20 0.34
HRH1 P35367 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
SCN5A Q14524 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 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
SCHEMBL5501333 0.84 ALDH1A1 (0.40) ALDH1A1HSD11B1
SCHEMBL5504575 0.84 HSD11B1 (0.46) SMN1; SMN2ALDH1A1HSD11B1SIGMAR1
SCHEMBL5505692 0.82 HSD11B1 (0.40) SMN1; SMN2ALDH1A1HSD11B1
SCHEMBL5500749 0.73 MEN1 (0.39) MEN1KMT2ANPC1MITFSMN1; SMN2
SCHEMBL5503146 0.72 HTR2C (0.38) ALDH1A1DRD2HTR2AHTR2CHTR2B
SCHEMBL5504207 0.71 MEN1 (0.33) MEN1KMT2ACTSSPOLBHTR2A
SCHEMBL5508747 0.71 CHRNB2 (0.40) HTR2AHTR2CHTR2B
SCHEMBL5503413 0.70 DPP4 (0.36) ALDH1A1HSD11B1HRH1
SCHEMBL5503988 0.70 P2RX7 (0.45) SMN1; SMN2POLB
SCHEMBL5499711 0.69 DPP4 (0.36)

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 claimed
WO-2006049952-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-05-11 WO claimed