SCHEMBL4020892

SCHEMBL4020892

Cc1cccc(C(=O)NC2CCN(c3ccnc4ccccc34)CC2)c1Cl.O=C(NC1CCN(c2ccnc3ccccc23)CC1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.49
CCNE1 P24864 4/20 0.46
CDK2 P24941 4/20 0.46
DRD4 P21917 3/20 0.45
HTR1A P08908 2/20 0.45
DRD2 P14416 2/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
DRD3 P35462 2/20 0.45
HTR2B P41595 2/20 0.45
DRD1 P21728 1/20 0.45
USP30 Q70CQ3 2/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 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
SCHEMBL4015411 0.90 DRD4 (0.53) CCNE1CDK2DRD4HTR1ADRD2
SCHEMBL4020873 0.88 PDGFRB (0.61) PDGFRBCCNE1CDK2USP30
SCHEMBL4024845 0.81 DRD2 (0.61) DRD4HTR1ADRD2HTR2AHTR2C
SCHEMBL4016402 0.79 MEN1 (0.56) DRD4HTR1ADRD2HTR2AHTR2C
SCHEMBL4020829 0.77 MEN1 (0.46) CCNE1CDK2DRD4DRD2USP30
SCHEMBL4022666 0.77 PAK1 (0.60) DRD4HTR1ADRD2HTR2AHTR2C
SCHEMBL4020162 0.75 DRD4 (0.55) CCNE1CDK2DRD4POLBMEN1
SCHEMBL4583078 0.75 KDR (0.56) CCNE1CDK2DRD4HTR1ADRD2
SCHEMBL4018090 0.74 PDGFRB (0.60) PDGFRBUSP30
SCHEMBL4582882 0.73 MAPT (0.59) PDGFRBCCNE1CDK2DRD4HTR1A

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