SCHEMBL4020829

SCHEMBL4020829

Cc1c(Cl)cccc1C(=O)NC1CCN(c2nccc3ccccc23)CC1.O=C(NC1CCN(c2nccc3ccccc23)CC1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MALT1 Q9UDY8 1/20 0.46
PAK1 Q13153 4/20 0.45
DRD4 P21917 6/20 0.44
CCNE1 P24864 2/20 0.43
CDK2 P24941 2/20 0.43
DRD2 P14416 1/20 0.42
USP30 Q70CQ3 2/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL4016289 0.90 MEN1 (0.55) MEN1KMT2AMALT1PAK1DRD4
SCHEMBL4016380 0.88 USP30 (0.52) PAK1DRD4CCNE1CDK2DRD2
SCHEMBL4019291 0.81 PAK1 (0.63) MEN1KMT2AMALT1PAK1DRD4
SCHEMBL4020162 0.79 DRD4 (0.55) MEN1KMT2AMALT1PAK1DRD4
SCHEMBL4020892 0.77 PDGFRB (0.49) MEN1KMT2ADRD4CCNE1CDK2
SCHEMBL4016031 0.76 PAK1 (0.46) MEN1KMT2AMALT1PAK1DRD4
SCHEMBL4023811 0.76 PAK1 (0.60) MEN1KMT2AMALT1PAK1DRD4
SCHEMBL4024515 0.75 PAK1 (0.56) MEN1KMT2AMALT1PAK1DRD4
SCHEMBL4016402 0.75 MEN1 (0.56) MEN1KMT2APAK1DRD4DRD2
SCHEMBL4024322 0.74 MAPT (0.58) KMT2AMALT1PAK1CCNE1CDK2

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 disclosed
WO-2008028691-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO disclosed