SCHEMBL4017659

SCHEMBL4017659

NC(=O)C1CC(N(C(=O)c2c(F)cccc2I)C2CCN(c3ncnc4ccccc34)CC2)CCN1c1ncnc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
AKT1 P31749 9/20 0.38
AKT2 P31751 9/20 0.38
AKT3 Q9Y243 9/20 0.38
JAK2 O60674 2/20 0.36
JAK3 P52333 1/20 0.36
HRH1 P35367 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PTK2 Q05397 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
TSHR P16473 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33

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
SCHEMBL4017685 0.84 ADRB2 (0.34) AKT1JAK2
SCHEMBL4017146 0.80 LMNA (0.40) LMNAHTTSMN1; SMN2AKT1AKT2
SCHEMBL4014441 0.73 SMN1; SMN2 (0.47) LMNAHTTSMN1; SMN2AKT1AKT2
SCHEMBL4016468 0.73 CYP1A2 (0.44) AKT1AKT2AKT3MALT1
SCHEMBL4017662 0.72 SUV39H1 (0.48) LMNAHTTSMN1; SMN2AKT1AKT2
SCHEMBL4018922 0.64 LMNA (0.45) LMNAHTTSMN1; SMN2AKT1AKT2
SCHEMBL4019437 0.64 GPR119 (0.42) AKT1
SCHEMBL29230268 0.63 LMNA (0.59) LMNAHTTSMN1; SMN2AKT1AKT2
Hydrochloric Acid SCHEMBL2797475 0.63 LMNA (0.65) LMNAHTTSMN1; SMN2AKT1AKT2
SCHEMBL2795640 0.62 LMNA (0.64) LMNAHTTSMN1; SMN2AKT1AKT2

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