SCHEMBL30718315

SCHEMBL30718315

CN1CCC[C@@H](Nc2nnc(-c3ccc(C(F)(F)F)cc3)c3[nH]ccc23)C1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IL1B P01584 13/20 0.55
▸ NLRP3 Q96P20 7/20 0.51
▸ CHRNB2 P17787 2/20 0.44
▸ CHRNB4 P30926 2/20 0.44
▸ CHRNA3 P32297 2/20 0.44
▸ CHRNA4 P43681 2/20 0.44
▸ KAT2B Q92831 2/20 0.43

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
SCHEMBL27288792 1.00 IL1B (0.55) IL1BNLRP3CHRNB2CHRNB4CHRNA3
SCHEMBL30718303 0.93 IL1B (0.55) IL1BNLRP3CHRNB2CHRNB4CHRNA3
SCHEMBL27288788 0.93 IL1B (0.55) IL1BNLRP3CHRNB2CHRNB4CHRNA3
SCHEMBL27289106 0.89 NLRP3 (0.48) IL1BNLRP3KAT2B
SCHEMBL27289110 0.87 KAT2B (0.45) IL1BNLRP3KAT2B
SCHEMBL27297264 0.87 IL1B (0.63) IL1BNLRP3
SCHEMBL27290003 0.87 NLRP3 (0.51) IL1BNLRP3KAT2B
SCHEMBL26090390 0.86 IL1B (0.73) IL1BNLRP3
SCHEMBL27289522 0.86 IL1B (0.54) IL1BNLRP3CHRNB2CHRNB4CHRNA3
SCHEMBL27290026 0.85 IL1B (0.58) IL1BNLRP3CHRNB2CHRNB4CHRNA3

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-2024006559-A1 MODULATORS OF NLRP3 INFLAMMASOME AND RELATED PRODUCTS AND METHODS Neumora Therapeutics, Inc. (US) 2024-01-04 — — WO disclosed
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