SCHEMBL4031807

SCHEMBL4031807

O=C1CCCN1[C@H]1CCc2n[nH]c(Cc3c(Cl)cc(N4CCC(c5ccccc5)CC4)cc3Cl)c2C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 10/20 0.37
NR3C2 P08235 4/20 0.37
PARP1 P09874 2/20 0.36
PGR P06401 1/20 0.36
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
STAT3 P40763 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IP6K1 Q92551 1/20 0.33
PIK3C3 Q8NEB9 3/20 0.33
GRM2 Q14416 1/20 0.33
SLC18A3 Q16572 1/20 0.32
CYP2D6 P10635 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL4031855 0.82 KDM5A (0.34)
SCHEMBL4023855 0.82 KDM5A (0.34)
SCHEMBL4025157 0.82 KDM5A (0.34)
SCHEMBL4024126 0.81 LTA4H (0.34) CYP2D6
SCHEMBL4022622 0.81 LTA4H (0.34) CYP2D6
SCHEMBL4024429 0.80 OPRL1 (0.35) PARP1
SCHEMBL4030735 0.79 NPY5R (0.35) CYP2D6HRH1
SCHEMBL4029262 0.79 NPY5R (0.35) CYP2D6HRH1
SCHEMBL4024067 0.79 NPY5R (0.35) CYP2D6HRH1
SCHEMBL4028478 0.77 KDM5A (0.35)

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-2029579-A2 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
WO-2007124254-A2 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-01 WO disclosed