SCHEMBL25797797

SCHEMBL25797797

Cc1cc(C2CC2)ccc1-c1nnc(N[C@@H]2CCCN(C)C2)cc1C

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 14/20 0.85
▸ IL1B P01584 12/20 0.67

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
SCHEMBL24575029 0.92 NLRP3 (1.00) NLRP3IL1B
SCHEMBL29696947 0.92 NLRP3 (1.00) NLRP3IL1B
SCHEMBL26938877 0.92 NLRP3 (1.00) NLRP3IL1B
SCHEMBL26938054 0.92 NLRP3 (1.00) NLRP3IL1B
SCHEMBL25798309 0.87 NLRP3 (0.74) NLRP3IL1B
SCHEMBL25798436 0.86 IL1B (0.84) NLRP3IL1B
SCHEMBL25798532 0.86 NLRP3 (0.75) NLRP3IL1B
SCHEMBL25798262 0.84 NLRP3 (0.70) NLRP3IL1B
SCHEMBL25797809 0.84 IL1B (0.87) NLRP3IL1B
SCHEMBL25797908 0.84 NLRP3 (0.70) NLRP3IL1B

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-2023129987-A1 PYRIDAZINE DERIVATIVES AS MODULATORS OF NLRP3 INFLAMMASOME AND RELATED METHODS Neumora Therapeutics, Inc. (US) 2023-07-06 — — WO disclosed
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