SCHEMBL28065018

SCHEMBL28065018

CC(C)(C)C(=O)ON1CCC(=CC#N)CC1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 12/20 0.41
▸ USP30 Q70CQ3 1/20 0.34
▸ ACHE P22303 1/20 0.32
▸ PDE5A O76074 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.31
▸ HHAT Q5VTY9 1/20 0.31
▸ KIF11 P52732 1/20 0.30

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
SCHEMBL28064896 0.80 RIPK1 (0.48) RIPK1ACHEPDE5AHRH3
SCHEMBL28209962 0.80 RIPK1 (0.48) RIPK1ACHEPDE5AHRH3
SCHEMBL19446182 0.79 NR1H2 (0.45) RIPK1
SCHEMBL17782283 0.79 NR1H2 (0.45) RIPK1
SCHEMBL17782285 0.79 NR1H2 (0.45) RIPK1
SCHEMBL16401244 0.76 USP30 (0.39) RIPK1USP30HHAT
SCHEMBL28065088 0.73 RIPK1 (0.41) RIPK1ACHEPDE5AHRH3
SCHEMBL28065013 0.72 HSD17B10 (0.36) RIPK1
SCHEMBL27626761 0.72 RIPK1 (0.47) RIPK1PDE5A
SCHEMBL28027168 0.71 GRM5 (0.32) —

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
CN-105579444-B Piperidinylindole derivatives and their use as complement factor B inhibitors 诺华股份有限公司 2018-05-01 — — CN disclosed
CN-105579444-A Piperidinylindole derivatives and their use as complement factor B inhibitors NOVARTIS AG 2016-05-11 — — CN disclosed
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