SCHEMBL8477448

SCHEMBL8477448

NCC1CCCN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DPP4 P27487 1/20 0.46
SLC6A9 P48067 1/20 0.43
OPRM1 P35372 4/20 0.41
OPRL1 P41146 4/20 0.41
OPRK1 P41145 2/20 0.41
OPRD1 P41143 1/20 0.41
CYP2D6 P10635 3/20 0.41
KCNH2 Q12809 3/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
DRD1 P21728 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL5633486 0.90 DPP4 (0.51) L3MBTL3L3MBTL1DPP4SLC6A9OPRM1
SCHEMBL692993 0.85 CYP2D6 (0.50) OPRM1OPRL1OPRK1OPRD1CYP2D6
SCHEMBL13597006 0.84 DPP4 (0.49) L3MBTL3L3MBTL1DPP4SLC6A9OPRM1
SCHEMBL84788 0.83 OPRM1 (0.44) L3MBTL3L3MBTL1DPP4SLC6A9OPRM1
Hydrochloric Acid SCHEMBL4159913 0.82 OPRM1 (0.43) L3MBTL3L3MBTL1DPP4SLC6A9OPRM1
SCHEMBL8473371 0.80 L3MBTL3 (0.56) L3MBTL3L3MBTL1DPP4OPRM1OPRL1
SCHEMBL13597021 0.80 DPP4 (0.61) L3MBTL3L3MBTL1DPP4SLC6A9OPRM1
SCHEMBL18614900 0.79 L3MBTL3 (0.50) L3MBTL3L3MBTL1DPP4SLC6A9OPRM1
SCHEMBL18634599 0.79 L3MBTL3 (0.50) L3MBTL3L3MBTL1DPP4SLC6A9OPRM1
SCHEMBL18614904 0.79 L3MBTL3 (0.50) L3MBTL3L3MBTL1DPP4SLC6A9OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5872115-A COMPOUNDS FOR TREATMENT OF HYPERCHOLESTEROLEMIA, ISCHEMIC HEART DISEASE, CEREBROVASCULAR DISEASE OR ATHEROSCLEROSIS GRELAN PHARMACEUTICAL CO. LTD. (JP) 1999-02-16 US disclosed