SCHEMBL30989860

SCHEMBL30989860

COc1ncc(F)cc1C(=O)NC1COc2cc(F)ccc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.39
▸ GPR6 P46095 4/20 0.39
▸ MAP3K5 Q99683 1/20 0.39
▸ P2RX7 Q99572 4/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ SCN5A Q14524 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ RIPK1 Q13546 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ BDKRB1 P46663 1/20 0.37
▸ LTB4R Q15722 2/20 0.37

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
SCHEMBL30989858 0.92 GPR6 (0.39) NTRK1GPR6P2RX7PDE4APDE4B
SCHEMBL30989846 0.91 GPR6 (0.42) NTRK1GPR6P2RX7KCNH2SCN5A
SCHEMBL30989834 0.88 P2RX7 (0.37) NTRK1P2RX7PDE4APDE4BPDE4D
SCHEMBL30989892 0.81 NTRK1 (0.46) NTRK1GPR6P2RX7
SCHEMBL30989859 0.79 GPR6 (0.39) NTRK1GPR6
SCHEMBL30989838 0.79 GPR6 (0.39) NTRK1GPR6
SCHEMBL30990005 0.78 MAPK1 (0.40) GPR6MAP3K5P2RX7PDE4APDE4B
SCHEMBL30989885 0.78 MAPK1 (0.43) P2RX7RIPK1
SCHEMBL31078468 0.77 MAPT (0.44) MEN1KMT2A
SCHEMBL30989853 0.76 PDE4A (0.54) PDE4APDE4BPDE4DMEN1KMT2A

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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