SCHEMBL8292249

SCHEMBL8292249

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

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
FKBP1A P62942 2/20 0.31
CTSL P07711 1/20 0.31

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
SCHEMBL10474713 0.81 CHRM2 (0.37) MEN1KMT2AALDH1A1TSHRFKBP1A
SCHEMBL8292248 0.78 NR1H2 (0.35) MEN1KMT2AALDH1A1TSHRCTSL
SCHEMBL8300314 0.75 MEN1 (0.37) MEN1KMT2AALDH1A1TSHRCTSL
SCHEMBL27438982 0.74 FKBP1A (0.32) KMT2AFKBP1A
SCHEMBL8300369 0.73 MEN1 (0.32) MEN1KMT2AALDH1A1TSHR
SCHEMBL9602653 0.73 FKBP1A (0.36) KMT2AALDH1A1FKBP1A
SCHEMBL116483 0.72 MEN1 (0.43) MEN1KMT2AALDH1A1TSHRFKBP1A
SCHEMBL38660321 0.72 MEN1 (0.43) MEN1KMT2AALDH1A1TSHRFKBP1A
SCHEMBL8300368 0.72 MEN1 (0.33) MEN1KMT2AALDH1A1TSHRCTSL
SCHEMBL13078850 0.72 MEN1 (0.37) MEN1KMT2AALDH1A1TSHRFKBP1A

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