SCHEMBL22366365

SCHEMBL22366365

COC(=O)CCc1cccc2c1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
SCN9A Q15858 1/20 0.46
MAPK1 P28482 1/20 0.46
NR1H2 P55055 1/20 0.46
UCHL1 P09936 1/20 0.46
ABHD6 Q9BV23 2/20 0.43
NAMPT P43490 3/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
P2RX3 P56373 5/20 0.42
LIPG Q9Y5X9 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL29644391 0.89 ALDH1A1 (0.49) ESR2SCN9AMAPK1NR1H2UCHL1
SCHEMBL16269236 0.89 ALDH1A1 (0.49) ESR2SCN9AMAPK1NR1H2UCHL1
SCHEMBL16269608 0.89 UCHL1 (0.49) ESR2SCN9AMAPK1NR1H2UCHL1
SCHEMBL22366387 0.85 S1PR5 (0.42) ABHD6
SCHEMBL10289745 0.85 ESR2 (0.53) ESR2SCN9AMAPK1NR1H2UCHL1
SCHEMBL22366367 0.84 ESR2 (0.51) ESR2SCN9AMAPK1NR1H2UCHL1
SCHEMBL30428708 0.84 ESR2 (0.51) ESR2SCN9AMAPK1NR1H2UCHL1
SCHEMBL5774734 0.84 UCHL1 (0.53) ESR2SCN9AMAPK1NR1H2UCHL1
SCHEMBL29554603 0.84 UCHL1 (0.53) ESR2SCN9AMAPK1NR1H2UCHL1
SCHEMBL22530017 0.83 ESR2 (0.51) ESR2SCN9AMAPK1NR1H2UCHL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3700911-B1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2023-09-06 EP disclosed
EP-3700911-A1 NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier SAS (FR) 2020-09-02 EP disclosed