SCHEMBL4008763

SCHEMBL4008763

N#Cc1ccc(N2CCCC(NC(=O)C34CC5CC(C3)C(O)C(C5)C4)C2)nc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.46
HSD11B2 P80365 4/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
DPP4 P27487 2/20 0.40
RET P07949 3/20 0.39
TIPARP Q7Z3E1 1/20 0.39
PANK3 Q9H999 1/20 0.39
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
GRM4 Q14833 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM4 P08173 1/20 0.38

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
SCHEMBL4151350 1.00 HSD11B1 (0.46) HSD11B1HSD11B2CYP3A4CYP2D6CYP2C9
SCHEMBL4143208 0.94 HSD11B1 (0.41) HSD11B1HSD11B2CYP3A4CYP2D6CYP2C9
SCHEMBL5950770 0.86 GRM1 (0.50) HSD11B1HSD11B2KMT2A
SCHEMBL3999588 0.86 KMT2A (0.42) HSD11B1HSD11B2KMT2A
SCHEMBL4142418 0.86 KMT2A (0.43) HSD11B1HSD11B2KMT2A
SCHEMBL4005054 0.86 HSD11B1 (0.40) HSD11B1HSD11B2KMT2A
SCHEMBL4011662 0.86 KMT2A (0.42) HSD11B1HSD11B2KMT2A
SCHEMBL4003557 0.86 GRM1 (0.50) HSD11B1HSD11B2KMT2A
SCHEMBL5950733 0.86 HSD11B1 (0.40) HSD11B1HSD11B2KMT2A
SCHEMBL4011713 0.84 SYK (0.39) HSD11B1HSD11B2RETKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP disclosed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP disclosed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO disclosed