SCHEMBL3963435

SCHEMBL3963435

O=C(Nc1cc(CNCCc2ccccc2)ccc1Cl)c1ccc(NCc2ccccc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.50
OPRM1 P35372 5/20 0.48
OPRD1 P41143 5/20 0.48
ICOSLG O75144 2/20 0.47
ICOS Q9Y6W8 2/20 0.47
OPRK1 P41145 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
GRIN1 Q05586 1/20 0.45
KCNH2 Q12809 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
SCHEMBL3960045 0.95 HDAC1 (0.53) HDAC1OPRM1OPRD1OPRK1SMN1; SMN2
SCHEMBL3962774 0.90 MAPT (0.52) HDAC1OPRM1OPRD1OPRK1SMN1; SMN2
SCHEMBL3959300 0.88 SMN1; SMN2 (0.60) HDAC1OPRM1OPRD1OPRK1SMN1; SMN2
SCHEMBL3959686 0.84 SMN1; SMN2 (0.48) HDAC1OPRM1OPRD1OPRK1SMN1; SMN2
SCHEMBL3957848 0.83 HDAC1 (0.58) HDAC1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL3960551 0.82 HDAC1 (0.49) HDAC1ICOSLGICOSSMN1; SMN2HDAC8
SCHEMBL3957764 0.82 HDAC1 (0.56) HDAC1ICOSLGICOSSMN1; SMN2MAPT
SCHEMBL4996420 0.82 HDAC1 (0.50) HDAC1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4543923 0.82 HDAC1 (0.50) HDAC1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL3958683 0.81 HDAC1 (0.53) HDAC1ICOSLGICOSSMN1; SMN2MAPT

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-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