SCHEMBL28065036

SCHEMBL28065036

CC(C)(C)C(=O)ON1CCC(NS(=O)(=O)C(C)(C)C)CC1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 8/20 0.43
▸ KDM1A O60341 2/20 0.39
▸ ACHE P22303 1/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ NR1H2 P55055 2/20 0.33
▸ NR1H3 Q13133 2/20 0.33
▸ EPHX2 P34913 1/20 0.33

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
SCHEMBL28065027 0.78 RIPK1 (0.50) RIPK1KDM1A
SCHEMBL28209964 0.76 KDM1A (0.43) RIPK1KDM1A
SCHEMBL28065026 0.72 RIPK1 (0.44) RIPK1KDM1A
SCHEMBL28064896 0.69 RIPK1 (0.48) RIPK1ACHE
SCHEMBL28209962 0.69 RIPK1 (0.48) RIPK1ACHE
SCHEMBL28063655 0.69 RIPK1 (0.48) RIPK1
SCHEMBL27971288 0.68 RIPK1 (0.42) RIPK1KDM1AACHENR1H2NR1H3
SCHEMBL16543129 0.67 CYP2D6 (0.39) —
SCHEMBL16543128 0.67 CYP2D6 (0.39) —
SCHEMBL16543127 0.67 CYP2D6 (0.39) —

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
CN-105579444-A Piperidinylindole derivatives and their use as complement factor B inhibitors NOVARTIS AG 2016-05-11 — — CN disclosed
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