SCHEMBL28848822

SCHEMBL28848822

CCC(C)(C)C(=O)N1CN(C)C[C@H]1c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 14/20 0.64
▸ HSP90AA1 P07900 2/20 0.41
▸ P2RX7 Q99572 1/20 0.41
▸ TACR1 P25103 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SSTR4 P31391 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
SCHEMBL17881890 0.87 RIPK1 (0.76) RIPK1P2RX7
SCHEMBL17881976 0.78 RIPK1 (1.00) RIPK1
SCHEMBL17881984 0.78 RIPK1 (1.00) RIPK1
SCHEMBL19500984 0.78 RIPK1 (0.76) RIPK1P2RX7
SCHEMBL17881987 0.78 RIPK1 (1.00) RIPK1P2RX7
SCHEMBL17881893 0.78 RIPK1 (1.00) RIPK1P2RX7
SCHEMBL17881975 0.77 RIPK1 (0.67) RIPK1P2RX7
SCHEMBL28167616 0.76 RIPK1 (0.66) RIPK1P2RX7TACR1
SCHEMBL17881908 0.76 RIPK1 (0.65) RIPK1P2RX7
SCHEMBL17881874 0.76 RIPK1 (0.65) RIPK1P2RX7

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-107108492-A Inhibitor of cellular necrosis 北京生命科学研究所 2017-08-29 — — CN disclosed
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