SCHEMBL4017665

SCHEMBL4017665

Cc1cccc(C(=O)NC2CCN(c3ccnc4cc(Cl)ccc34)CC2)c1C.O=C(O)c1sccc1Br

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.43
CLK1 P49759 1/20 0.43
IDE P14735 3/20 0.42
MAPK1 P28482 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CCR5 P51681 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL4017495 0.88 ALDH1A1 (0.54) MEN1KMT2AALDH1A1CLK1IDE
SCHEMBL14183873 0.87 ALDH1A1 (0.54) MEN1KMT2AALDH1A1CLK1IDE
SCHEMBL4024837 0.80 ALDH1A1 (0.56) MEN1KMT2AALDH1A1CLK1IDE
SCHEMBL14183875 0.80 ALDH1A1 (0.56) MEN1KMT2AALDH1A1CLK1IDE
SCHEMBL4017674 0.80 MEN1 (0.45) MEN1KMT2AALDH1A1CLK1IDE
SCHEMBL4018523 0.76 ALDH1A1 (0.59) MEN1KMT2AALDH1A1CLK1IDE
SCHEMBL4918308 0.76 DRD2 (0.49) MEN1KMT2ADRD2DRD3
SCHEMBL4018447 0.76 MEN1 (0.63) MEN1KMT2AALDH1A1CLK1IDE
SCHEMBL4018926 0.76 PAK1 (0.55) MEN1KMT2A
SCHEMBL4025066 0.76 ALDH1A1 (0.51) MEN1KMT2AALDH1A1CLK1IDE

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