SCHEMBL21322984

SCHEMBL21322984

O=C(/C=C/c1ccc(Cl)cc1)N1CCC2CN(C(=O)c3ccc4[nH]nnc4c3)C[C@H]2CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 12/20 0.48
ENPP2 Q13822 2/20 0.45
ATXN2 Q99700 2/20 0.45
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
KCNH2 Q12809 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
SCHEMBL16963790 1.00 GPR183 (0.48) GPR183ENPP2ATXN2GAANPC1
SCHEMBL16963788 1.00 GPR183 (0.48) GPR183ENPP2ATXN2GAANPC1
SCHEMBL21322986 1.00 GPR183 (0.48) GPR183ENPP2ATXN2GAANPC1
SCHEMBL16963617 0.96 GPR183 (0.48) GPR183ENPP2ATXN2GAANPC1
SCHEMBL16963621 0.96 GPR183 (0.48) GPR183ENPP2ATXN2GAANPC1
SCHEMBL21323350 0.96 GPR183 (0.48) GPR183ENPP2ATXN2GAANPC1
SCHEMBL21323346 0.96 GPR183 (0.48) GPR183ENPP2ATXN2GAANPC1
SCHEMBL16962843 0.93 ENPP2 (0.54) GPR183ENPP2ATXN2CCNCCDK8
SCHEMBL16962846 0.93 ENPP2 (0.54) GPR183ENPP2ATXN2CCNCCDK8
SCHEMBL21323318 0.93 ENPP2 (0.54) GPR183ENPP2ATXN2CCNCCDK8

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
EP-2900669-B1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND RELATED COMPOUNDS AS AUTOTAXIN (ATX) INHIBITORS AND AS INHIBITORS OF THE LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION FOR TREATING E.G. RENAL DISEASES HOFFMANN LA ROCHE (CH) 2019-09-04 EP disclosed