SCHEMBL8327592

SCHEMBL8327592

O=C(CCc1ccccc1)N1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 1.00
NPC1 O15118 2/20 0.73
TDP1 Q9NUW8 1/20 0.73
POLB P06746 3/20 0.63
ME2 P23368 1/20 0.62
ME1 P48163 1/20 0.62
ME3 Q16798 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.61
RAB9A P51151 2/20 0.61
USP2 O75604 1/20 0.61
MAPT P10636 3/20 0.61
KMT2A Q03164 2/20 0.61
GFER P55789 1/20 0.61
MEN1 O00255 1/20 0.61
NAAA Q02083 1/20 0.60
TSHR P16473 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
ALDH1A1 P00352 2/20 0.58
HPGD P15428 1/20 0.57

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
SCHEMBL7068444 0.90 FKBP1A (0.82) FKBP1ANPC1TDP1POLBSMN1; SMN2
SCHEMBL1953978 0.89 FKBP1A (0.80) FKBP1ANPC1TDP1POLBSMN1; SMN2
SCHEMBL9556702 0.88 FKBP1A (0.78) FKBP1ANPC1TDP1POLBSMN1; SMN2
SCHEMBL7131839 0.88 NPC1 (0.86) FKBP1ANPC1TDP1POLBME2
SCHEMBL25432319 0.84 NPC1 (0.93) FKBP1ANPC1TDP1POLBME2
SCHEMBL3700679 0.84 NPC1 (1.00) FKBP1ANPC1TDP1POLBME2
SCHEMBL9557082 0.84 FKBP1A (0.72) FKBP1AME2ME1ME3SMN1; SMN2
SCHEMBL10195739 0.84 FKBP1A (0.72) FKBP1ASMN1; SMN2RAB9AKMT2ATSHR
SCHEMBL8391980 0.84 FKBP1A (0.72) FKBP1ANPC1TDP1KMT2ANAAA
SCHEMBL15455557 0.84 FKBP1A (0.72) FKBP1ANPC1TDP1POLBSMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111960962-B Nickel-catalyzed alpha-alkylation method of acetamide and thioacetamide 山东师范大学 2023-03-07 CN disclosed
EP-3313397-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME (US) 2020-11-25 EP disclosed
CN-111960962-A Nickel-catalyzed alpha-alkylation method of acetamide and thioacetamide 山东师范大学 2020-11-20 CN disclosed
CN-1050839-C Novel sulfonylamino pyrimidines HOFFMANN LA ROCHE (CH) 2000-03-29 CN disclosed
EP-0633259-B1 Sulfonylaminopyrimidines, their preparation and their use as medicine HOFFMANN LA ROCHE (CH) 1999-01-13 EP disclosed
US-5541186-A ENDOTHELIN RECEPTOR INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1996-07-30 US disclosed
CN-1106007-A Novel sulfonylamino pyrimidines HOFFMANN LA ROCHE (CH) 1995-08-02 CN disclosed
EP-0633259-A1 Sulfonylaminopyrimidines, their preparation and their use as medicine F. HOFFMANN-LA ROCHE AG (CH) 1995-01-11 EP disclosed