SCHEMBL23900311

SCHEMBL23900311

CN1C(=O)CCOc2cc(C#Cc3ccccn3)cnc21

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 8/20 0.51
▸ RIPK1 Q13546 5/20 0.50
▸ NPC1 O15118 1/20 0.43
▸ HCRTR1 O43613 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ PTPN7 P35236 1/20 0.43
▸ DUSP3 P51452 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL23081899 0.83 RIPK1 (0.49) GRM5RIPK1NPC1HCRTR1RAB9A
SCHEMBL25586388 0.81 NPC1 (0.49) GRM5RIPK1NPC1HCRTR1RAB9A
SCHEMBL23900235 0.76 RIPK1 (0.46) GRM5RIPK1
SCHEMBL23900349 0.74 RIPK1 (0.48) GRM5RIPK1
SCHEMBL23900266 0.73 RIPK1 (0.49) GRM5RIPK1
SCHEMBL30250877 0.73 RIPK1 (0.39) RIPK1
SCHEMBL21500799 0.73 RIPK1 (0.39) RIPK1
SCHEMBL23075920 0.67 RIPK1 (0.48) GRM5RIPK1
SCHEMBL23081632 0.67 CYP11B1 (0.51) GRM5RIPK1
SCHEMBL23081600 0.67 RIPK1 (0.49) GRM5RIPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021203011-A1 RIP1K INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2021-10-07 — — WO disclosed
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