SCHEMBL30116941

SCHEMBL30116941

O=C(NCc1ccc(F)c(C(F)(F)F)c1)NC1CC2(CCC2)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 5/20 0.47
▸ FPR3 P25089 1/20 0.46
▸ FPR2 P25090 1/20 0.46
▸ PTPN7 P35236 6/20 0.45
▸ DUSP3 P51452 6/20 0.45
▸ EPHX1 P07099 3/20 0.43
▸ CTSD P07339 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 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
SCHEMBL30116927 0.95 P2RX7 (0.49) P2RX7FPR3FPR2PTPN7DUSP3
SCHEMBL30117031 0.84 NAMPT (0.41) P2RX7EPHX1MEN1POLBKMT2A
SCHEMBL30117022 0.81 MLYCD (0.49) P2RX7EPHX1MEN1KMT2AHPGD
SCHEMBL26633839 0.80 EPHX1 (0.50) EPHX1POLBHPGDSMN1; SMN2RAB9A
SCHEMBL30116947 0.80 FPR3 (0.46) P2RX7FPR3FPR2MEN1POLB
SCHEMBL25205210 0.79 EPHX1 (0.44) EPHX1MEN1POLBKMT2AHPGD
SCHEMBL30116944 0.78 CYP3A4 (0.47) FPR3FPR2HTT
SCHEMBL26764320 0.78 EPHX1 (0.68) EPHX1MEN1POLBKMT2AHPGD
SCHEMBL30116961 0.77 P2RX7 (0.47) P2RX7FPR3FPR2
SCHEMBL26099286 0.77 SMN1; SMN2 (0.41) EPHX1MEN1POLBKMT2AHPGD

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 4 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
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 — — 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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