SCHEMBL31308002

SCHEMBL31308002

NC(=O)[C@H]1CCN(C(=O)N2CC3(CCN(S(=O)(=O)c4ccc(C(F)(F)F)cc4F)CC3)C2)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 5/20 0.42
▸ CACNA1B Q00975 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ TRPV4 Q9HBA0 4/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP2C9 P11712 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MGLL Q99685 1/20 0.37

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
SCHEMBL30700367 0.81 SMN1; SMN2 (0.47) EPHX2ALDH1A1SMN1; SMN2
SCHEMBL30700371 0.81 ENPP2 (0.43) GAATDP1CYP2C9TSHRATM
SCHEMBL30700172 0.81 ENPP2 (0.43) GAATDP1CYP2C9TSHRATM
SCHEMBL25253376 0.81 CACNA1B (0.48) EPHX2CACNA1BALDH1A1TRPV4SMN1; SMN2
SCHEMBL30700445 0.80 CACNA1B (0.38) EPHX2CACNA1BTRPV4CYP2C9CNR2
SCHEMBL30700102 0.79 GAA (0.43) GAATDP1CYP2C9ATML3MBTL1
SCHEMBL30699891 0.79 GAA (0.43) GAATDP1CYP2C9ATML3MBTL1
SCHEMBL25327528 0.78 CACNA1B (0.40) EPHX2CACNA1BTRPV4CYP2C9CNR2
SCHEMBL25146124 0.78 MGLL (0.43) EPHX2CACNA1BALDH1A1TRPV4CYP2C9
SCHEMBL30409323 0.78 MGLL (0.43) EPHX2CACNA1BALDH1A1TRPV4CYP2C9

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
CN-119301113-A Novel heterocyclic carbonyl cyclic compounds as MAGL inhibitors 豪夫迈·罗氏有限公司 2025-01-10 — — CN claimed
CN-119301113-A Novel heterocyclic carbonyl cyclic compounds as MAGL inhibitors 豪夫迈·罗氏有限公司 2025-01-10 — — CN disclosed
Send feedback