SCHEMBL31057134

SCHEMBL31057134

Cc1cc(N[C@@H]2CCCN(CC(=O)N3CCC(O)C3)C2)nnc1Cl

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IL1B P01584 6/20 0.43
NLRP3 Q96P20 12/20 0.41
GFER P55789 2/20 0.38
POLB P06746 1/20 0.38
KCNH2 Q12809 1/20 0.38
ATM Q13315 1/20 0.37
TNF P01375 1/20 0.37

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
SCHEMBL31057334 0.95 IL1B (0.43) IL1BNLRP3GFERPOLBKCNH2
SCHEMBL31057370 0.94 IL1B (0.44) IL1BNLRP3GFERPOLBKCNH2
SCHEMBL25304051 0.85 IL1B (0.48) IL1BNLRP3KCNH2TNF
SCHEMBL29030489 0.85 IL1B (0.48) IL1BNLRP3KCNH2TNF
SCHEMBL31057127 0.84 IL1B (0.49) IL1BNLRP3KCNH2TNF
SCHEMBL31057317 0.84 IL1B (0.49) IL1BNLRP3KCNH2TNF
SCHEMBL31057218 0.84 IL1B (0.49) IL1BNLRP3KCNH2TNF
SCHEMBL31057341 0.82 IL1B (0.49) IL1BNLRP3KCNH2TNF
SCHEMBL31057093 0.81 IL1B (0.42) IL1BNLRP3KCNH2
SCHEMBL30517841 0.81 NLRP3 (0.45) IL1BNLRP3KCNH2TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4646197-A2 ORGANIC COMPOUNDS AS NLRP3 INHIBITORS Kodiak Sciences Inc. (US) 2025-11-12 EP disclosed
WO-2024148029-A2 ORGANIC COMPOUNDS AS NLRP3 INHIBITORS KODIAK SCIENCES INC. (US) 2024-07-11 WO disclosed