SCHEMBL4017146

SCHEMBL4017146

NC(=O)C1CC(N(C(=O)c2ccc(-n3cccc3)cc2)C2CCN(c3ncnc4ccccc34)CC2)CCN1c1ncnc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GPR119 Q8TDV5 2/20 0.40
CLK4 Q9HAZ1 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HRH1 P35367 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
TSHR P16473 1/20 0.36
AKT1 P31749 5/20 0.36
AKT2 P31751 5/20 0.36
AKT3 Q9Y243 5/20 0.36
PTK2 Q05397 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL4019437 0.84 GPR119 (0.42) GPR119AKT1
SCHEMBL4017659 0.80 LMNA (0.39) LMNAHTTSMN1; SMN2HRH1HRH3
SCHEMBL4021867 0.73 MAPT (0.58) LMNAHTTSMN1; SMN2HRH1HRH3
SCHEMBL4016468 0.73 CYP1A2 (0.44) CYP1A2AKT1AKT2AKT3MALT1
SCHEMBL4017150 0.71 SMYD3 (0.56) LMNAHTTSMN1; SMN2AKT1AKT2
SCHEMBL4018922 0.66 LMNA (0.45) LMNAHTTSMN1; SMN2ALDH1A1HRH1
SCHEMBL29230268 0.65 LMNA (0.59) LMNAHTTSMN1; SMN2HRH1HRH3
SCHEMBL6528468 0.64 LMNA (0.73) LMNAHTTSMN1; SMN2CYP1A2HRH1
Hydrochloric Acid SCHEMBL2797475 0.64 LMNA (0.65) LMNAHTTSMN1; SMN2HRH1HRH3
SCHEMBL2795640 0.64 LMNA (0.64) LMNAHTTSMN1; SMN2CLK4ALDH1A1

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-2066654-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS Bayer Schering Pharma AG (DE) 2009-06-10 EP claimed
WO-2008028691-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO claimed