SCHEMBL4018947

SCHEMBL4018947

O=C(NC1CCN(c2ccnc3cc(Cl)ccc23)CC1)c1ccc(F)cc1.O=C(NC1CCN(c2ccnc3cc(Cl)ccc23)CC1)c1ccccc1I

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.48
STAT3 P40763 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
IDE P14735 1/20 0.47
CLK1 P49759 1/20 0.46
CCR5 P51681 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL4018080 0.92 ALDH1A1 (0.56) MAPK1MEN1KMT2AMAPTSTAT3
SCHEMBL4581795 0.90 MAPK1 (0.58) MAPK1NPSR1MEN1KMT2AMAPT
SCHEMBL4017657 0.88 PAK1 (0.54) CCNE1CDK2
SCHEMBL4019375 0.85 ALDH1A1 (0.56) MAPK1NPSR1MEN1KMT2AMAPT
SCHEMBL4021694 0.84 CCNE1 (0.57) MAPK1NPSR1MEN1KMT2AMAPT
SCHEMBL4018148 0.83 MAPK1 (0.60) MAPK1NPSR1MEN1KMT2AMAPT
SCHEMBL4018447 0.83 MEN1 (0.63) MAPK1MEN1KMT2AMAPTSTAT3
SCHEMBL4581343 0.83 ALDH1A1 (0.58) MAPK1NPSR1MEN1KMT2AMAPT
SCHEMBL4023335 0.82 MAPK1 (0.54) MAPK1NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL4016317 0.82 MAPK1 (0.59) MAPK1NPSR1MEN1KMT2AMAPT

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