SCHEMBL5405182

SCHEMBL5405182

CCCCCOC(=O)N1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
LMNA P02545 1/20 0.62
POLB P06746 1/20 0.62
L3MBTL1 Q9Y468 3/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NAAA Q02083 1/20 0.47
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
GBA2 Q9HCG7 1/20 0.44
EPHX1 P07099 1/20 0.44

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
SCHEMBL19830587 0.98 LMNA (0.60) SMN1; SMN2LMNAPOLBL3MBTL1MEN1
SCHEMBL5935756 0.98 LMNA (0.60) SMN1; SMN2LMNAPOLBL3MBTL1MEN1
SCHEMBL10700528 0.98 SMN1; SMN2 (0.60) SMN1; SMN2LMNAPOLBL3MBTL1MEN1
SCHEMBL5935769 0.96 LMNA (0.58) SMN1; SMN2LMNAPOLBL3MBTL1MEN1
SCHEMBL1859157 0.94 SMN1; SMN2 (0.69) SMN1; SMN2LMNAPOLBL3MBTL1MEN1
SCHEMBL7838421 0.92 SMN1; SMN2 (0.67) SMN1; SMN2LMNAPOLBL3MBTL1MEN1
SCHEMBL1826048 0.92 SMN1; SMN2 (0.67) SMN1; SMN2LMNAPOLBL3MBTL1MEN1
SCHEMBL11492059 0.92 SMN1; SMN2 (0.67) SMN1; SMN2LMNAPOLBL3MBTL1MEN1
SCHEMBL6129170 0.90 POLB (0.64) SMN1; SMN2LMNAPOLBNPSR1NAAA
SCHEMBL3634052 0.90 SMN1; SMN2 (0.69) SMN1; SMN2LMNAPOLBL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107531674-A 1-heterocyclyl isochroman compounds and analogs for the treatment of CNS disorders 赛诺维信制药公司 2018-01-02 CN disclosed
US-7189756-B2 Pyrrolidine derivatives HOFFMAN-LA ROCHE INC. (US) 2007-03-13 US disclosed
US-6790860-B2 USEFUL AS INHIBITORS OF METALLOPROTEASES, E.G. ZINC PROTEASES; EFFECTIVE IN TREATING DISEASE STATES ASSOCIATED WITH VASOCONSTRICTION HOFFMANN-LA ROCHE INC. 2004-09-14 US disclosed
EP-0147909-A1 Aryloxy-N-(aminoalkyl)-1-pyrrolidine and piperidine carboxamides and carbothioamides having antiarrhythmic activity A.H. ROBINS COMPANY, INCORPORATED (US) 1985-07-10 EP disclosed