SCHEMBL4559159

SCHEMBL4559159

CCCc1cccc(CCC2CCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44
DRD3 P35462 1/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
BCHE P06276 1/20 0.43
OPRM1 P35372 4/20 0.42
OPRD1 P41143 4/20 0.42
OPRK1 P41145 4/20 0.42
SPHK2 Q9NRA0 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL3836345 0.98 BCHE (0.45) DRD2DRD1DRD4DRD5DRD3
SCHEMBL16191233 0.88 SMN1; SMN2 (0.43) MAOBBCHEOPRM1OPRD1OPRK1
SCHEMBL10534699 0.85 MAOB (0.41) DRD2DRD1DRD4DRD5DRD3
SCHEMBL10697228 0.83 MAOB (0.55) MAOAMAOBBCHECYP1A2
SCHEMBL16191317 0.81 NPC1 (0.54) OPRM1OPRD1OPRK1
SCHEMBL16191351 0.80 OPRM1 (0.40) MAOAMAOBOPRM1OPRD1OPRK1
SCHEMBL613243 0.79 SIGMAR1 (0.43) MAOAMAOBBCHEOPRM1OPRD1
SCHEMBL10235917 0.79 KCNH2 (0.50)
SCHEMBL20204743 0.79 OPRM1 (0.42) MAOAMAOBOPRM1OPRD1OPRK1
SCHEMBL612124 0.78 SIGMAR1 (0.46) MAOABCHEOPRM1OPRD1OPRK1

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
WO-2009058216-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-05-07 WO disclosed