SCHEMBL5500624

SCHEMBL5500624

O=C1CCCN1C1CCCC(Br)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
MGLL Q99685 1/20 0.33
NOS1 P29475 2/20 0.32
NOS3 P29474 1/20 0.32
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
CHRNB2 P17787 2/20 0.31
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
CHRNA7 P36544 2/20 0.31
CHRNA4 P43681 2/20 0.31
NPY5R Q15761 2/20 0.31
HRH3 Q9Y5N1 1/20 0.30
VNN1 O95497 1/20 0.30

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
SCHEMBL11842283 0.82 NOS3 (0.45) KDM5AJAK2JAK1JAK3DPP4
SCHEMBL24065150 0.79 JAK2 (0.34) KDM5AJAK2JAK1JAK3DPP4
SCHEMBL4331457 0.79 BRD4 (0.36) KDM5AJAK2JAK1JAK3MGLL
SCHEMBL10007403 0.79 JAK2 (0.34) KDM5AJAK2JAK1JAK3DPP4
SCHEMBL6335314 0.78 NOS3 (0.45) DPP4DPP8DPP9MGLLNOS1
SCHEMBL22889 0.77 NOS3 (0.43) MGLLNOS1NOS3BRD4BRD2
SCHEMBL20858617 0.77 NOS3 (0.43) MGLLNOS1NOS3BRD4BRD2
SCHEMBL23917218 0.77 NOS3 (0.43) MGLLNOS1NOS3BRD4BRD2
SCHEMBL6103837 0.77 NOS3 (0.43) DPP4DPP8DPP9NOS1NOS3
SCHEMBL17185334 0.76

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