SCHEMBL4029463

SCHEMBL4029463

O=C(c1ccc(-c2cc(Cl)c(Cc3[nH]nc4c3CC(N3CCCC3=O)CC4)c(Cl)c2)cc1)N1CCC(C(F)(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPR P35270 12/20 0.38
VNN1 O95497 2/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
KDM5A P29375 1/20 0.33
ALK Q9UM73 1/20 0.32
PARP1 P09874 1/20 0.32
F10 P00742 1/20 0.32
NAMPT P43490 1/20 0.31

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
SCHEMBL4027725 0.93 SPR (0.38) SPRVNN1KDM5APARP1F10
SCHEMBL4030735 0.84 NPY5R (0.35) KDM5A
SCHEMBL4029262 0.84 NPY5R (0.35) KDM5A
SCHEMBL4024067 0.84 NPY5R (0.35) KDM5A
SCHEMBL4026325 0.81 KDM5A (0.36) VNN1KDM5APARP1F10
SCHEMBL4028519 0.81 PDE5A (0.38) KDM5APARP1
SCHEMBL4029793 0.81 PKM (0.36) KDM5APARP1
SCHEMBL4023855 0.79 KDM5A (0.34) KDM5AF10
SCHEMBL4025157 0.79 KDM5A (0.34) KDM5AF10
SCHEMBL4031855 0.79 KDM5A (0.34) KDM5AF10

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