SCHEMBL4180585

SCHEMBL4180585

O=C1CCCN1N1CCC(O)C(Cc2c(Cl)cc(OCc3ccccc3)cc2Cl)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 2/20 0.40
S1PR1 P21453 1/20 0.40
PRKX P51817 1/20 0.40
ACVR1 Q04771 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37
SPHK1 Q9NYA1 5/20 0.37
SPHK2 Q9NRA0 4/20 0.37
HRH3 Q9Y5N1 4/20 0.36
CYP2D6 P10635 2/20 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
SCHEMBL4174224 0.84 S1PR1 (0.35) S1PR5S1PR1PRKXACVR1NPC1
SCHEMBL5507807 0.80 HRH3 (0.39) S1PR5S1PR1PRKXACVR1NPC1
SCHEMBL1092839 0.74 NPC1 (0.49) S1PR5S1PR1PRKXACVR1NPC1
SCHEMBL1092836 0.74 NPC1 (0.49) S1PR5S1PR1PRKXACVR1NPC1
SCHEMBL4187799 0.73 PRKDC (0.38) S1PR5S1PR1PRKXACVR1NPC1
SCHEMBL4067724 0.72 HRH3 (0.39) S1PR5S1PR1PRKXACVR1GRIN1
SCHEMBL4196923 0.71 HPGD (0.42) HRH3
SCHEMBL5502793 0.71 GRM2 (0.39)
SCHEMBL4190944 0.70 MAPK14 (0.33)
SCHEMBL1093210 0.69 PRKDC (0.42) S1PR5S1PR1PRKXACVR1NPC1

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-2021336-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-02-11 EP disclosed
WO-2007127688-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-08 WO disclosed