SCHEMBL3960045

SCHEMBL3960045

O=C(Nc1cc(CNCCc2ccccc2)ccc1Cl)c1ccc(NCCc2ccccc2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 1/20 0.47
OPRM1 P35372 3/20 0.46
OPRD1 P41143 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
OPRK1 P41145 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
P4HTM Q9NXG6 1/20 0.43

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
SCHEMBL3963435 0.95 HDAC1 (0.50) HDAC1SMN1; SMN2MAPTOPRM1OPRD1
SCHEMBL3962774 0.90 MAPT (0.52) HDAC1SMN1; SMN2MAPTOPRM1OPRD1
SCHEMBL3959300 0.89 SMN1; SMN2 (0.60) HDAC1SMN1; SMN2MAPTOPRM1OPRD1
SCHEMBL4543923 0.86 HDAC1 (0.50) HDAC1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4996420 0.86 HDAC1 (0.50) HDAC1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL3959686 0.85 SMN1; SMN2 (0.48) HDAC1SMN1; SMN2MAPTOPRM1OPRD1
SCHEMBL3957848 0.84 HDAC1 (0.58) HDAC1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL3957764 0.83 HDAC1 (0.56) HDAC1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL3958683 0.81 HDAC1 (0.53) HDAC1SMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL3879832 0.80 KDR (0.48) HDAC1SMN1; SMN2MAPTRAB9AKDM4E

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