SCHEMBL550210

SCHEMBL550210

N#Cc1ccc(Br)cc1N1CCCC2(CCN(C3CCC(O)CC3)C2=O)C1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.35
FFAR4 Q5NUL3 4/20 0.35
CHEK1 O14757 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
AR P10275 1/20 0.32
FFAR1 O14842 1/20 0.32
CYP3A4 P08684 1/20 0.31
DPP4 P27487 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
KDM1A O60341 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
SCHEMBL2699722 1.00 HSD11B1 (0.35) HSD11B1FFAR4CHEK1KDM4EMEN1
SCHEMBL550209 1.00 HSD11B1 (0.35) HSD11B1FFAR4CHEK1KDM4EMEN1
SCHEMBL549674 1.00 HSD11B1 (0.35) HSD11B1FFAR4CHEK1KDM4EMEN1
SCHEMBL17082093 1.00 HSD11B1 (0.35) HSD11B1FFAR4CHEK1KDM4EMEN1
SCHEMBL2699717 1.00 HSD11B1 (0.35) HSD11B1FFAR4CHEK1KDM4EMEN1
SCHEMBL4572368 1.00 HSD11B1 (0.35) HSD11B1FFAR4CHEK1KDM4EMEN1
SCHEMBL549673 1.00 HSD11B1 (0.35) HSD11B1FFAR4CHEK1KDM4EMEN1
SCHEMBL550123 0.88 HSD11B1 (0.43) HSD11B1FFAR4AR
SCHEMBL2699603 0.88 HSD11B1 (0.43) HSD11B1FFAR4AR
SCHEMBL2699601 0.88 HSD11B1 (0.43) HSD11B1FFAR4AR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US claimed