SCHEMBL21322907

SCHEMBL21322907

O=C(CCc1cc(F)cc(C(F)(F)F)c1)N1CC2CN(C(=O)c3ccc4[nH]nnc4c3)CC2C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 9/20 0.39
▸ DGAT2 Q96PD7 1/20 0.39
▸ ATXN2 Q99700 7/20 0.38
▸ GPR52 Q9Y2T5 1/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ TACR1 P25103 2/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ ABAT P80404 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ NTRK1 P04629 1/20 0.33

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
SCHEMBL16962367 1.00 ENPP2 (0.39) ENPP2DGAT2ATXN2GPR52ROCK2
SCHEMBL21323349 0.89 ENPP2 (0.43) ENPP2DGAT2ATXN2SIGMAR1TLR9
SCHEMBL16962369 0.89 ENPP2 (0.43) ENPP2DGAT2ATXN2SIGMAR1TLR9
SCHEMBL16962454 0.85 ENPP2 (0.53) ENPP2DGAT2ATXN2HTR2AABAT
SCHEMBL16963580 0.85 ENPP2 (0.35) ENPP2ATXN2GPR52ROCK2NAMPT
SCHEMBL21323373 0.84 ATXN2 (0.41) ENPP2DGAT2ATXN2TLR9TLR8
SCHEMBL21323395 0.84 ENPP2 (0.41) ENPP2DGAT2ATXN2ROCK2
SCHEMBL16963800 0.84 ATXN2 (0.41) ENPP2DGAT2ATXN2TLR9TLR8
SCHEMBL16963057 0.84 ENPP2 (0.41) ENPP2DGAT2ATXN2ROCK2
SCHEMBL16963648 0.84 ENPP2 (0.46) ENPP2DGAT2ATXN2

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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