SCHEMBL25798656

SCHEMBL25798656

CCN1CCC[C@@H](Nc2cc(C)c(-c3ccc(Cl)cc3)nn2)C1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 12/20 0.60
IL1B P01584 5/20 0.56
KCNH2 Q12809 1/20 0.48
CAMK2D Q13557 2/20 0.46
ADORA2A P29274 1/20 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
SCHEMBL25798433 0.89 NLRP3 (0.60) NLRP3IL1BKCNH2
SCHEMBL25799048 0.88 NLRP3 (0.66) NLRP3IL1BKCNH2CAMK2DADORA2A
SCHEMBL25797696 0.87 IL1B (0.60) NLRP3IL1BKCNH2
SCHEMBL25798457 0.86 IL1B (0.74) NLRP3IL1B
SCHEMBL31367796 0.83 NLRP3 (0.52) NLRP3IL1BKCNH2CAMK2DADORA2A
SCHEMBL25519368 0.83 NLRP3 (0.57) NLRP3IL1BKCNH2CAMK2DADORA2A
SCHEMBL30517832 0.83 NLRP3 (0.57) NLRP3IL1BKCNH2CAMK2DADORA2A
SCHEMBL25798660 0.83 IL1B (0.56) NLRP3IL1BKCNH2
SCHEMBL30665787 0.82 NLRP3 (0.55) NLRP3IL1BKCNH2CAMK2D
SCHEMBL25798598 0.82 NLRP3 (0.42) NLRP3IL1BKCNH2

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