SCHEMBL3959686

SCHEMBL3959686

CN(C)c1ccc(C(=O)Nc2cc(CNCCc3ccccc3)ccc2Cl)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.48
MAPT P10636 1/20 0.48
OPRM1 P35372 5/20 0.47
OPRD1 P41143 5/20 0.47
HDAC1 Q13547 3/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.46
OPRK1 P41145 3/20 0.46
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
SLC2A1 P11166 1/20 0.42
GRIN2D O15399 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
SCHEMBL3959300 0.87 SMN1; SMN2 (0.60) SMN1; SMN2MAPTOPRM1OPRD1HDAC1
SCHEMBL3960045 0.85 HDAC1 (0.53) SMN1; SMN2MAPTOPRM1OPRD1HDAC1
SCHEMBL3963435 0.84 HDAC1 (0.50) SMN1; SMN2MAPTOPRM1OPRD1HDAC1
SCHEMBL3962774 0.83 MAPT (0.52) SMN1; SMN2MAPTOPRM1OPRD1HDAC1
SCHEMBL3957848 0.82 HDAC1 (0.58) SMN1; SMN2MAPTHDAC1ALDH1A1KDM4E
SCHEMBL5002929 0.82 HDAC1 (0.46) SMN1; SMN2MAPTOPRM1OPRD1HDAC1
SCHEMBL5002927 0.82 HDAC1 (0.46) SMN1; SMN2MAPTOPRM1OPRD1HDAC1
SCHEMBL3957764 0.81 HDAC1 (0.56) SMN1; SMN2MAPTHDAC1ALDH1A1KDM4E
SCHEMBL3957247 0.81 HDAC3 (0.54) SMN1; SMN2MAPTHDAC1ALDH1A1KDM4E
SCHEMBL3958683 0.80 HDAC1 (0.53) SMN1; SMN2MAPTHDAC1ALDH1A1KDM4E

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