SCHEMBL23081899

SCHEMBL23081899

CN1C(=O)CCOc2cc(C#Cc3ccccn3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 5/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ HCRTR1 O43613 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ POLB P06746 2/20 0.49
▸ PTPN7 P35236 1/20 0.49
▸ DUSP3 P51452 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ GRM5 P41594 3/20 0.42
▸ ERN1 O75460 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ GABRA1 P14867 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA2 P47869 1/20 0.39

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
SCHEMBL25586388 0.91 NPC1 (0.49) RIPK1NPC1HCRTR1RAB9APOLB
SCHEMBL23900311 0.83 GRM5 (0.51) RIPK1NPC1HCRTR1RAB9APOLB
SCHEMBL23081600 0.83 RIPK1 (0.49) RIPK1GRM5GABRA1GABRG2GABRB3
SCHEMBL23081900 0.82 RIPK1 (0.43) RIPK1GRM5GABRA1GABRG2GABRB3
SCHEMBL23081632 0.81 CYP11B1 (0.51) RIPK1GRM5
SCHEMBL23081635 0.80 RIPK1 (0.51) RIPK1GRM5GABRA1GABRG2GABRB3
SCHEMBL25587259 0.76 NPC1 (0.47) RIPK1NPC1HCRTR1RAB9APOLB
SCHEMBL23076327 0.75 RIPK1 (0.48) RIPK1NPC1RAB9AGRM5GABRA1
SCHEMBL23081922 0.74 MAP3K14 (0.49) RIPK1
SCHEMBL23075920 0.74 RIPK1 (0.48) RIPK1GRM5

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-2021046437-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2021-03-11 — — WO disclosed
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