SCHEMBL30990047

SCHEMBL30990047

COc1ncc(Cl)cc1C(=O)NCc1cccc(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 1/20 0.51
▸ PDE10A Q9Y233 1/20 0.49
▸ PTGER4 P35408 2/20 0.46
▸ PTGER2 P43116 1/20 0.46
▸ MAPK8 P45983 2/20 0.46
▸ LMNA P02545 1/20 0.45
▸ KLKB1 P03952 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ RIPK1 Q13546 4/20 0.42
▸ POLB P06746 1/20 0.42
▸ ROCK2 O75116 3/20 0.42
▸ ROCK1 Q13464 3/20 0.42
▸ CHRM4 P08173 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ P2RX7 Q99572 1/20 0.41

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
SCHEMBL30989879 0.91 LMNA (0.55) PDE10APTGER4PTGER2MAPK8LMNA
SCHEMBL30989944 0.89 MET (0.52) METPDE10APTGER4MAPK8LMNA
SCHEMBL30989888 0.88 ROCK2 (0.53) METPDE10APTGER4PTGER2RIPK1
SCHEMBL30989895 0.83 KCNA5 (0.52) METPDE10APTGER4PTGER2RIPK1
SCHEMBL30989948 0.81 TP53 (0.55) PDE10APTGER4PTGER2RIPK1POLB
SCHEMBL30989952 0.81 TP53 (0.55) PDE10APTGER4PTGER2RIPK1POLB
SCHEMBL30990019 0.80 LMNA (0.57) PDE10APTGER4MAPK8LMNAPOLB
SCHEMBL30989973 0.80 RIPK1 (0.44) LMNARIPK1MAPT
SCHEMBL30989843 0.79 PTGER4 (0.56) PTGER4PTGER2MAPK8POLB
SCHEMBL30989931 0.78 PTGER4 (0.55) METPDE10APTGER4PTGER2RIPK1

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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