SCHEMBL26436765

SCHEMBL26436765

Cc1cnc(-c2nnc(NC3CCCN(CC(=O)O)C3)c3c2CCC3)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 10/20 0.52
IL1B P01584 6/20 0.39
GABRA5 P31644 2/20 0.39
PIK3CD O00329 1/20 0.35
KAT2B Q92831 1/20 0.35

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
SCHEMBL26436773 0.92 NLRP3 (0.51) NLRP3IL1BPIK3CDKAT2B
SCHEMBL26437605 0.89 NLRP3 (0.55) NLRP3IL1BGABRA5PIK3CDKAT2B
SCHEMBL26436792 0.87 IL1B (0.47) NLRP3IL1B
SCHEMBL26437428 0.85 NLRP3 (0.50) NLRP3IL1BGABRA5
SCHEMBL26436746 0.84 NLRP3 (0.71) NLRP3IL1B
SCHEMBL26436309 0.84 NLRP3 (0.61) NLRP3IL1BGABRA5PIK3CD
SCHEMBL26437286 0.82 NLRP3 (0.49) NLRP3IL1BGABRA5KAT2B
SCHEMBL26437607 0.81 NLRP3 (0.54) NLRP3IL1BKAT2B
SCHEMBL26436777 0.81 NLRP3 (0.52) NLRP3IL1B
SCHEMBL26437594 0.80 NLRP3 (0.48) NLRP3IL1BGABRA5

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-2023066377-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 索智生物科技(浙江)有限公司 2023-04-27 WO disclosed