SCHEMBL29112237

SCHEMBL29112237

COC(=O)CCc1ccccc1CCNC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.54
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
IDO1 P14902 4/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
NAMPT P43490 1/20 0.45
MALT1 Q9UDY8 1/20 0.44
DRD2 P14416 2/20 0.44
SIGMAR1 Q99720 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
BCHE P06276 1/20 0.43
KCNA5 P22460 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL29112280 0.89 NQO2 (0.54) NQO2MTNR1AMTNR1BIDO1MEN1
SCHEMBL4893405 0.86 NQO2 (0.58) NQO2MTNR1AMTNR1BIDO1MEN1
SCHEMBL6925241 0.83 NQO2 (0.56) NQO2MTNR1AMTNR1BIDO1MEN1
SCHEMBL28848653 0.83 CA2 (0.56) NQO2LMNAKMT2ANAMPTSIGMAR1
SCHEMBL8419482 0.82 MTNR1A (0.67) NQO2MTNR1AMTNR1BIDO1MEN1
SCHEMBL21680877 0.81 NQO2 (0.57) NQO2MTNR1AMTNR1BIDO1MEN1
SCHEMBL4381773 0.81 NQO2 (0.61) NQO2MTNR1AMTNR1BIDO1MEN1
SCHEMBL29112257 0.81 NQO2 (0.49) NQO2IDO1NAMPTSIGMAR1CA1
SCHEMBL29682117 0.81 NQO2 (0.49) NQO2IDO1NAMPTSIGMAR1CA1
SCHEMBL6874527 0.81 TDP1 (0.59) NQO2MTNR1AMTNR1BIDO1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4263493-A1 SUBSTITUTED CYCLOHEXANECARBOXAMIDES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION Sanofi (FR) 2023-10-25 EP disclosed
CN-116829532-A Substituted cyclohexane carboxamides, their preparation and their therapeutic use 赛诺菲 2023-09-29 CN disclosed
WO-2022133027-A1 SUBSTITUTED CYCLOHEXANECARBOXAMIDES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2022-06-23 WO disclosed