SCHEMBL29307307

SCHEMBL29307307

Cc1cc(N[C@@H]2CCCN(CC(=O)NC3CNC3)C2)nnc1-c1ccc(C(C)(F)F)cc1O

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IL1B P01584 14/20 0.58
NLRP3 Q96P20 10/20 0.58
TNF P01375 3/20 0.46
KCNH2 Q12809 1/20 0.45

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
SCHEMBL31057235 0.95 IL1B (0.66) IL1BNLRP3TNFKCNH2
SCHEMBL31057276 0.88 IL1B (0.65) IL1BNLRP3TNFKCNH2
SCHEMBL31057135 0.85 IL1B (0.66) IL1BNLRP3TNFKCNH2
SCHEMBL31057281 0.83 IL1B (0.60) IL1BNLRP3TNFKCNH2
SCHEMBL31057410 0.83 IL1B (0.64) IL1BNLRP3TNFKCNH2
SCHEMBL31057180 0.83 IL1B (0.60) IL1BNLRP3TNFKCNH2
SCHEMBL31057269 0.82 IL1B (0.73) IL1BNLRP3TNFKCNH2
SCHEMBL31057277 0.81 IL1B (0.73) IL1BNLRP3TNFKCNH2
SCHEMBL31057305 0.81 IL1B (0.66) IL1BNLRP3TNFKCNH2
SCHEMBL31057345 0.81 IL1B (0.68) IL1BNLRP3TNFKCNH2

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-2024148029-A2 ORGANIC COMPOUNDS AS NLRP3 INHIBITORS KODIAK SCIENCES INC. (US) 2024-07-11 WO disclosed