SCHEMBL23044954

SCHEMBL23044954

Cc1nc(N2CC(CS(=O)(=O)O)C2)ccc1OC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 3/20 0.34
▸ HCRTR2 O43614 3/20 0.34
▸ PDE10A Q9Y233 2/20 0.33
▸ CNR2 P34972 1/20 0.32
▸ MCHR1 Q99705 2/20 0.32
▸ TTR P02766 5/20 0.31
▸ RBP4 P02753 5/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ KDM2B Q8NHM5 1/20 0.30
▸ EPHX2 P34913 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ ABL1 P00519 1/20 0.30

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
SCHEMBL30932098 0.80 PDE10A (0.38) HCRTR1HCRTR2PDE10ARBP4PIM1
SCHEMBL23044963 0.80 PDE10A (0.38) HCRTR1HCRTR2PDE10ARBP4PIM1
SCHEMBL30932107 0.79 HCRTR1 (0.33) HCRTR1HCRTR2PDE10A
SCHEMBL23044952 0.79 HCRTR1 (0.33) HCRTR1HCRTR2PDE10A
SCHEMBL23044980 0.78 MCHR1 (0.35) HCRTR1HCRTR2MCHR1ABL1
SCHEMBL30932100 0.73 CNR2 (0.39) PDE10ACNR2MCHR1PIM1
SCHEMBL28537629 0.70 HCRTR1 (0.32) HCRTR1HCRTR2CNR2MCHR1KDM2B
SCHEMBL28530473 0.65 SLC6A2 (0.32) —
SCHEMBL22129474 0.64 PDE10A (0.46) PDE10ACNR2CHRM1
SCHEMBL29227988 0.64 CNR2 (0.32) CNR2

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
CN-112409333-B Phenylpyrrolidine compounds 武汉人福创新药物研发中心有限公司 2024-06-14 — — CN disclosed
WO-2021036953-A1 PHENYLPYRROLIDINE COMPOUND 湖北生物医药产业技术研究院有限公司 2021-03-04 — — WO disclosed
CN-112409333-A Phenylpyrrolidines 湖北生物医药产业技术研究院有限公司 2021-02-26 — — CN disclosed
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