SCHEMBL6981501

SCHEMBL6981501

CCC1CN(C(=O)OC(C)(C)C)CCCN1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.43
NR1H2 P55055 1/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX1 P07099 1/20 0.39
PREP P48147 2/20 0.37
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
CTSK P43235 1/20 0.36
RECQL P46063 1/20 0.36
GLS O94925 1/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 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
SCHEMBL18683 0.91 NR1H2 (0.43) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL2799343 0.91 NR1H2 (0.43) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL334410 0.91 NR1H2 (0.43) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17258176 0.89 NR1H2 (0.48) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL19878932 0.86 MEN1 (0.44) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL19878931 0.86 MEN1 (0.44) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL29060403 0.85 MEN1 (0.43) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL2898103 0.82 HPGD (0.48) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL31540 0.82 HPGD (0.48) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL20742255 0.81 NR1H2 (0.40) MEN1KMT2AMAPTALDH1A1HPGD

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
EP-0885888-B1 ISOQUINOLINE DERIVATIVES AND DRUGS HIDAKA HIROYOSHI DR (JP) 2003-08-13 EP disclosed
EP-1074545-A1 ISOQUINOLINESULFONAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Hidaka, Hiroyoshi (JP) 2001-02-07 EP disclosed
US-6153608-A Isoquinoline derivatives and drugs NIPPON SHINYAKU CO., LTD. (JP) 2000-11-28 US disclosed
EP-0885888-A1 ISOQUINOLINE DERIVATIVES AND DRUGS NIPPON SHINYAKU COMPANY, LIMITED (JP) 1998-12-23 EP disclosed