SCHEMBL5507807

SCHEMBL5507807

O=C1CCCN1C1CCC(O)C(Cc2c(Cl)cc(OCc3ccccc3)cc2Cl)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP2D6 P10635 2/20 0.38
S1PR1 P21453 1/20 0.38
PRKX P51817 1/20 0.38
ACVR1 Q04771 1/20 0.38
S1PR5 Q9H228 1/20 0.38
LTA4H P09960 1/20 0.37
SPHK2 Q9NRA0 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 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
SCHEMBL5502793 0.90 GRM2 (0.39) LTA4H
SCHEMBL4067724 0.88 HRH3 (0.39) HRH3GRIN1GRIN2BCYP2D6S1PR1
SCHEMBL5500218 0.84 MMP13 (0.38) RAB9ACYP2D6
SCHEMBL5504560 0.82 BTK (0.38) LTA4HLMNA
SCHEMBL4180585 0.80 S1PR5 (0.40) HRH3GRIN1GRIN2BNPC1RAB9A
SCHEMBL5503441 0.78 TACR1 (0.36)
SCHEMBL5502942 0.78 LMNA (0.38) LMNA
SCHEMBL5501184 0.77 NPY5R (0.35) LTA4H
SCHEMBL5509855 0.76 CYP11B2 (0.39)
SCHEMBL5501783 0.76 LMNA (0.43) SMN1; SMN2LMNA

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