SCHEMBL23075162

SCHEMBL23075162

CN1C(=O)CCCc2ccc(C#CC3(O)COC3)cc21

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 16/20 0.43
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ NR2F2 P24468 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ MAP3K14 Q99558 1/20 0.36

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
SCHEMBL23085564 0.86 RIPK1 (0.41) RIPK1MAP3K14
SCHEMBL23075411 0.81 RIPK1 (0.49) RIPK1MAP3K14
SCHEMBL23085448 0.78 RIPK1 (0.57) RIPK1
SCHEMBL30832140 0.76 SLC6A4 (0.40) BACE1
SCHEMBL25587249 0.74 BACE1 (0.42) BACE1
SCHEMBL25585039 0.74 GRM5 (0.38) —
SCHEMBL23085476 0.71 MAP3K14 (0.47) RIPK1NPC1RAB9APOLBNR2F2
SCHEMBL23081597 0.71 NPC1 (0.47) RIPK1NPC1RAB9APOLBNR2F2
SCHEMBL25585024 0.71 CYP19A1 (0.49) MAP3K14
SCHEMBL23085713 0.70 RIPK1 (0.48) RIPK1MAP3K14

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
WO-2021046382-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2021-03-11 — — WO disclosed
WO-2021046407-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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