SCHEMBL8300314

SCHEMBL8300314

CCOC(=O)C1C2CCC(=O)CC2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 1/20 0.36
GPR119 Q8TDV5 3/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ATM Q13315 2/20 0.35
CTSL P07711 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 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
SCHEMBL27352660 0.88 KMT2A (0.35) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL25178930 0.84 GPR119 (0.40) GPR119HSD17B10TPSAB1TPSD1TPSG1
SCHEMBL27297555 0.82 MEN1 (0.37) MEN1KMT2AALDH1A1TSHRGPR119
SCHEMBL10474713 0.81 CHRM2 (0.37) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL38660321 0.81 MEN1 (0.43) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL116483 0.81 MEN1 (0.43) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL8300368 0.80 MEN1 (0.33) MEN1KMT2AALDH1A1TSHRGPR119
SCHEMBL8300369 0.80 MEN1 (0.32) MEN1KMT2AALDH1A1TSHRGPR119
SCHEMBL25204927 0.78 MEN1 (0.44) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL13079726 0.78 MAPT (0.40) MEN1KMT2AALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0658545-B1 Decahydro-isoquinoline derivatives LILLY CO ELI (US) 1999-09-29 EP disclosed
CN-1034552-C Improvements in and relating to organic compounds LILLY CO ELI (US) 1997-04-16 CN disclosed
EP-0383504-B1 Decahydro isoquinoline derivatives, process for their preparation and use as medicines LILLY CO ELI (US) 1995-07-19 EP disclosed
EP-0658545-A1 Decahydro-isoquinoline derivatives ELI LILLY AND COMPANY (US) 1995-06-21 EP disclosed
EP-0383504-A2 Decahydro isoquinoline derivatives, process for their preparation and use as medicines ELI LILLY AND COMPANY (US) 1990-08-22 EP disclosed
US-4902695-A ISOQUINOLINE DERIVATIVES; NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1990-02-20 US disclosed