SCHEMBL4699439

SCHEMBL4699439

Cc1cccc(-c2ccc(C(Cl)N3CCCC(c4ccccc4)C3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.43
DRD2 P14416 4/20 0.43
DRD3 P35462 4/20 0.43
DRD1 P21728 2/20 0.43
DRD4 P21917 2/20 0.43
DRD5 P21918 2/20 0.43
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
BCL9 O00512 2/20 0.37
CTNNB1 P35222 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CCR5 P51681 1/20 0.36

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
SCHEMBL22795472 0.73 DRD2 (0.54) DRD2DRD3DRD1DRD4DRD5
SCHEMBL22795471 0.73 DRD2 (0.54) DRD2DRD3DRD1DRD4DRD5
SCHEMBL22795216 0.73 DRD2 (0.54) DRD2DRD3DRD1DRD4DRD5
SCHEMBL21323287 0.69 DRD2 (0.63) DRD2DRD3DRD1DRD4DRD5
SCHEMBL17658922 0.69 DRD2 (0.63) DRD2DRD3DRD1DRD4DRD5
SCHEMBL2603277 0.69 DRD2 (0.63) DRD2DRD3DRD1DRD4DRD5
SCHEMBL29319933 0.68 BCL9 (0.44) DRD2DRD3DRD1DRD4DRD5
SCHEMBL20350247 0.67 DRD2 (0.53) DRD2DRD3DRD1DRD4DRD5
SCHEMBL24434890 0.66 DRD2 (0.63) DRD2DRD3DRD1DRD4DRD5
SCHEMBL25882280 0.66 RAB9A (0.49) DRD2DRD3DRD1DRD4DRD5

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-1966132-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-10 EP disclosed
WO-2007070760-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 WO disclosed