SCHEMBL25146284

SCHEMBL25146284

O=C1CCC2(CN(C(=O)N3CC4(CCN(Cc5ccc(C(F)(F)F)cc5F)CC4)C3)C2)N1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.42
▸ ATXN2 Q99700 4/20 0.42
▸ MGLL Q99685 3/20 0.42
▸ FAAH O00519 1/20 0.41
▸ GPR183 P32249 5/20 0.40
▸ CYP3A4 P08684 3/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ PDCD1LG2 Q9BQ51 2/20 0.38
▸ CD274 Q9NZQ7 2/20 0.38
▸ ABHD6 Q9BV23 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL25146247 0.94 FAAH (0.44) ENPP2ATXN2MGLLFAAHGPR183
SCHEMBL25146037 0.93 MGLL (0.45) MGLLFAAHCYP2D6PDCD1LG2CD274
SCHEMBL30409906 0.93 MGLL (0.41) ENPP2ATXN2MGLLFAAHGPR183
SCHEMBL25146318 0.85 MGLL (0.46) ENPP2ATXN2MGLLFAAHGPR183
SCHEMBL30409855 0.85 MGLL (0.46) ENPP2ATXN2MGLLFAAHGPR183
SCHEMBL30409323 0.81 MGLL (0.43) ENPP2ATXN2MGLLTSHRALDH1A1
SCHEMBL25146106 0.81 PPARG (0.40) MGLLGPR183CYP3A4CYP2D6TSHR
SCHEMBL25146124 0.81 MGLL (0.43) ENPP2ATXN2MGLLTSHRALDH1A1
SCHEMBL25253780 0.81 FAAH (0.47) ENPP2ATXN2MGLLFAAHGPR183
SCHEMBL30409293 0.80 FAAH (0.42) ENPP2ATXN2MGLLFAAHGPR183

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4416154-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-08-21 — — EP claimed
CN-118103374-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2024-05-28 — — CN claimed
WO-2023062049-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 — — WO claimed
EP-4416154-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-08-21 — — EP disclosed
CN-118103374-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2024-05-28 — — CN disclosed
WO-2023062049-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 — — WO disclosed
WO-2023062049-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 — — WO disclosed
Send feedback