SCHEMBL30989893

SCHEMBL30989893

COc1ncc(Cl)cc1C(=O)N(C)C1CCc2ccc(C#N)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR6 P46095 4/20 0.43
▸ MALT1 Q9UDY8 1/20 0.36
▸ HSD11B1 P28845 3/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ IP6K1 Q92551 1/20 0.35
▸ IMPDH2 P12268 1/20 0.34
▸ INSR P06213 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ SPR P35270 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ PTGER2 P43116 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 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
SCHEMBL30989826 0.87 GPR6 (0.39) GPR6IP6K1IMPDH2SPRACHE
SCHEMBL30989842 0.84 SPR (0.47) SPRGPBAR1
SCHEMBL30989894 0.84 SPR (0.47) SPRGPBAR1
SCHEMBL30989760 0.81 GPR6 (0.37) GPR6HSD11B1IP6K1ACHEGPBAR1
SCHEMBL30990055 0.77 PIN1 (0.42) GPR6SPRACHE
SCHEMBL30989798 0.77 PIN1 (0.42) GPR6SPRACHE
SCHEMBL30989949 0.75 ALDH1A1 (0.46) SPR
SCHEMBL30989947 0.73 PIN1 (0.48) GPR6SPR
SCHEMBL30989803 0.73 PIN1 (0.48) GPR6SPR
SCHEMBL30989941 0.72 MAPK1 (0.43) GPBAR1

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