SCHEMBL26090390

SCHEMBL26090390

CN1CCC[C@@H](Nc2nnc(-c3ccc(C(F)(F)F)cc3O)c3[nH]ccc23)C1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IL1B P01584 15/20 0.73
▸ NLRP3 Q96P20 9/20 0.68

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
SCHEMBL26093624 0.94 IL1B (0.74) IL1BNLRP3
SCHEMBL27297264 0.92 IL1B (0.63) IL1BNLRP3
SCHEMBL27297433 0.88 NLRP3 (0.57) IL1BNLRP3
SCHEMBL30718315 0.86 IL1B (0.55) IL1BNLRP3
SCHEMBL27288792 0.86 IL1B (0.55) IL1BNLRP3
SCHEMBL28961805 0.86 IL1B (0.79) IL1BNLRP3
SCHEMBL28961801 0.86 IL1B (0.79) IL1BNLRP3
SCHEMBL28961832 0.86 IL1B (0.79) IL1BNLRP3
SCHEMBL28961837 0.86 IL1B (0.79) IL1BNLRP3
SCHEMBL27297428 0.86 IL1B (0.64) IL1BNLRP3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116102535-A Nitrogen-containing compound, preparation method and application thereof 索智生物科技(浙江)有限公司 2023-05-12 — — CN disclosed
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
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
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