SCHEMBL23057529

SCHEMBL23057529

Cc1cc(N2CC(O)C2)ncc1OC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 12/20 0.37
▸ SOS1 Q07889 1/20 0.37
▸ TACR1 P25103 2/20 0.34
▸ TACR3 P29371 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ MPL P40238 1/20 0.34
▸ MCHR1 Q99705 1/20 0.33
▸ SMO Q99835 1/20 0.33

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
SCHEMBL30932106 1.00 ABL1 (0.37) ABL1SOS1TACR1TACR3HCRTR1
SCHEMBL23044984 0.82 MCHR1 (0.33) HCRTR1HCRTR2MCHR1SMO
SCHEMBL30932101 0.81 AR (0.40) SOS1MCHR1
SCHEMBL23044980 0.80 MCHR1 (0.35) ABL1HCRTR1HCRTR2MCHR1SMO
SCHEMBL23044963 0.73 PDE10A (0.38) ABL1HCRTR1HCRTR2MPL
SCHEMBL30932098 0.73 PDE10A (0.38) ABL1HCRTR1HCRTR2MPL
SCHEMBL13073944 0.70 UHRF1 (0.42) —
SCHEMBL22129386 0.70 SMO (0.45) SOS1LRRK2MCHR1SMO
SCHEMBL29929479 0.70 SMO (0.45) SOS1LRRK2MCHR1SMO
SCHEMBL19795270 0.67 SCN5A (0.34) —

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-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
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