SCHEMBL30117055

SCHEMBL30117055

O=C(NCc1cccc(C(F)F)c1)NC1CC2(CCC2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 6/20 0.45
▸ HPGD P15428 4/20 0.45
▸ EPHX2 P34913 4/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ HTT P42858 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ RAB9A P51151 3/20 0.38
▸ MAPT P10636 1/20 0.38
▸ OPRL1 P41146 1/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ ADRA1D P25100 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ ADRA1B P35368 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL30116971 0.95 EPHX1 (0.44) EPHX1HPGDEPHX2MEN1POLB
SCHEMBL30117043 0.84 FPR3 (0.47) EPHX1HPGDEPHX2KMT2ASMN1; SMN2
SCHEMBL30117022 0.81 MLYCD (0.49) EPHX1HPGDEPHX2MEN1KMT2A
SCHEMBL30229741 0.81 EPHX1 (0.44) EPHX1HPGDEPHX2MEN1POLB
SCHEMBL30116952 0.79 ROCK2 (0.47) EPHX1HPGDEPHX2KMT2A
SCHEMBL30794961 0.79 EPHX1 (0.43) EPHX1HPGDEPHX2MEN1POLB
SCHEMBL30116948 0.79 MAPK14 (0.50) EPHX1HPGDEPHX2
SCHEMBL30116963 0.79 EPHX1 (0.43) EPHX1HPGDEPHX2MEN1POLB
SCHEMBL30117017 0.78 EPHX1 (0.42) EPHX1HPGDEPHX2MEN1POLB
SCHEMBL26101634 0.77 EPHX1 (0.41) EPHX1HPGDEPHX2POLBSMN1; SMN2

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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