SCHEMBL30989947

SCHEMBL30989947

COc1ncc(F)cc1C(=O)N(C)[C@@H]1CCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 8/20 0.48
▸ SPR P35270 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ PDE4A P27815 2/20 0.39
▸ PDE4B Q07343 2/20 0.39
▸ PDE4C Q08493 2/20 0.39
▸ PDE4D Q08499 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ GPR6 P46095 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ HPGDS O60760 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
SCHEMBL30989803 1.00 PIN1 (0.48) PIN1SPRALDH1A1XBP1HTT
SCHEMBL30989798 0.91 PIN1 (0.42) PIN1SPRGPR6TRPM8
SCHEMBL30990055 0.91 PIN1 (0.42) PIN1SPRGPR6TRPM8
SCHEMBL30989894 0.88 SPR (0.47) PIN1SPRALDH1A1XBP1HTT
SCHEMBL30989842 0.88 SPR (0.47) PIN1SPRALDH1A1XBP1HTT
SCHEMBL30989831 0.83 MAPK1 (0.41) PIN1GPR6
SCHEMBL30990026 0.83 MAPK1 (0.41) PIN1GPR6
SCHEMBL30989826 0.82 GPR6 (0.39) PIN1SPRGPR6TRPM8
SCHEMBL30990045 0.79 GPR6 (0.38) PIN1PDE4APDE4BPDE4CPDE4D
SCHEMBL30989853 0.78 PDE4A (0.54) ALDH1A1PDE4APDE4BPDE4CPDE4D

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
EP-4612131-A1 NICOTINAMIDE DERIVATIVES FOR USE IN TREATING DISORDERS ASSOCIATED WITH KCNK13 ACTIVITY Cerevance, Inc. (US) 2025-09-10 — — EP disclosed
WO-2024095003-A1 NICOTINAMIDE DERIVATIVES FOR USE IN TREATING DISORDERS ASSOCIATED WITH KCNK13 ACTIVITY Cerevance, Inc. (US) 2024-05-10 — — WO disclosed
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