SCHEMBL3962774

SCHEMBL3962774

O=C(Nc1cc(CNCCc2ccccc2)ccc1Cl)c1ccc(Nc2ccccc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
HDAC1 Q13547 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
OPRM1 P35372 3/20 0.45
OPRD1 P41143 3/20 0.45
HCAR3 P49019 1/20 0.45
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
OPRK1 P41145 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CHEK1 O14757 1/20 0.43
SLC2A1 P11166 1/20 0.42
GAA P10253 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
SCHEMBL3960045 0.90 HDAC1 (0.53) MAPTKDM4ELMNAPOLBHDAC1
SCHEMBL3963435 0.90 HDAC1 (0.50) MAPTKDM4EHDAC1SMN1; SMN2OPRM1
SCHEMBL3959300 0.87 SMN1; SMN2 (0.60) MAPTKDM4ELMNAHDAC1SMN1; SMN2
SCHEMBL3959686 0.83 SMN1; SMN2 (0.48) MAPTKDM4EHDAC1SMN1; SMN2OPRM1
SCHEMBL3957848 0.82 HDAC1 (0.58) MAPTKDM4EHDAC1SMN1; SMN2ALDH1A1
SCHEMBL4999927 0.81 HDAC1 (0.45) MAPTKDM4EHDAC1SMN1; SMN2HCAR3
SCHEMBL4541195 0.81 HDAC1 (0.45) MAPTKDM4EHDAC1SMN1; SMN2HCAR3
SCHEMBL3957764 0.81 HDAC1 (0.56) MAPTKDM4ELMNAHDAC1SMN1; SMN2
SCHEMBL3958683 0.80 HDAC1 (0.53) MAPTKDM4ELMNAHDAC1SMN1; SMN2
SCHEMBL3879832 0.79 KDR (0.48) MAPTKDM4EHDAC1SMN1; SMN2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079525-A1 CALCIUM RECEPTOR MODULATING AGENTS Amgen Inc. (US) 2009-07-22 EP claimed
WO-2008057282-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2008-05-15 WO claimed
EP-2079525-A1 CALCIUM RECEPTOR MODULATING AGENTS Amgen Inc. (US) 2009-07-22 EP disclosed
WO-2008057282-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2008-05-15 WO disclosed