SCHEMBL21323186

SCHEMBL21323186

COc1ccc(/C=C/C(=O)N2CCC3CN(C(=O)c4ccc5[nH]nnc5c4)CC3CC2)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GPR183 P32249 6/20 0.42
▸ ITGAL P20701 1/20 0.41
▸ PROKR1 Q8TCW9 4/20 0.40
▸ RBP4 P02753 1/20 0.40
▸ ATXN2 Q99700 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ENPP2 Q13822 2/20 0.38
▸ FPR2 P25090 1/20 0.38
▸ MAPK7 Q13164 1/20 0.37
▸ DGAT2 Q96PD7 1/20 0.37
▸ CPS1 P31327 1/20 0.36
▸ HPGD P15428 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
SCHEMBL16963543 1.00 GPR183 (0.42) GPR183ITGALPROKR1RBP4ATXN2
SCHEMBL16963540 1.00 GPR183 (0.42) GPR183ITGALPROKR1RBP4ATXN2
SCHEMBL16963519 0.89 GPR183 (0.40) GPR183ITGALRBP4ATXN2ENPP2
SCHEMBL21322927 0.89 GPR183 (0.40) GPR183ITGALRBP4ATXN2ENPP2
SCHEMBL16963518 0.89 GPR183 (0.40) GPR183ITGALRBP4ATXN2ENPP2
SCHEMBL21323310 0.86 GPR183 (0.54) GPR183GAASMN1; SMN2
SCHEMBL16963765 0.86 GPR183 (0.54) GPR183GAASMN1; SMN2
SCHEMBL21323311 0.86 GPR183 (0.54) GPR183GAASMN1; SMN2
SCHEMBL16963768 0.86 GPR183 (0.54) GPR183GAASMN1; SMN2
SCHEMBL21323061 0.85 ENPP2 (0.44) GPR183ATXN2ENPP2FPR2MAPK7

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
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