SCHEMBL30116944

SCHEMBL30116944

O=C(NCc1cc(F)cc(C(F)(F)F)c1)NC1CC2(CCC2)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ FPR3 P25089 1/20 0.45
▸ FPR2 P25090 1/20 0.45
▸ MTOR P42345 2/20 0.45
▸ CCR2 P41597 10/20 0.44
▸ HTT P42858 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ ENPP2 Q13822 1/20 0.42
▸ ATXN2 Q99700 1/20 0.42
▸ NAMPT P43490 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
SCHEMBL30117007 0.95 CYP3A4 (0.47) CYP3A4ALDH1A1FPR3FPR2MTOR
SCHEMBL30117022 0.84 MLYCD (0.49) CYP3A4
SCHEMBL30116998 0.79 SMN1; SMN2 (0.36) CYP3A4CCR2HTT
SCHEMBL26633839 0.79 EPHX1 (0.50) ALDH1A1
SCHEMBL30116993 0.79 MLYCD (0.51) CYP3A4HTT
SCHEMBL30116941 0.78 P2RX7 (0.47) FPR3FPR2HTT
SCHEMBL30116947 0.78 FPR3 (0.46) FPR3FPR2
SCHEMBL30116953 0.76 KMT2A (0.39) FPR3FPR2MTOR
SCHEMBL25205210 0.75 EPHX1 (0.44) HTTNAMPT
SCHEMBL13452941 0.74 MTOR (0.54) CYP3A4ALDH1A1MTORHTTMAPK1

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
CN-115461327-A Spiro urea derivatives 爱杜西亚药品有限公司 2022-12-09 — — CN claimed
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 — — EP disclosed
EP-4580679-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS Biohaven Therapeutics Ltd. (VG) 2025-07-09 — — EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 — — WO disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 — — WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 — — WO disclosed
CN-115461327-A Spiro urea derivatives 爱杜西亚药品有限公司 2022-12-09 — — CN disclosed
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