SCHEMBL29307453

SCHEMBL29307453

Cc1cc(N[C@@H]2CCCNC2)nnc1-c1ccc(C(C)(F)F)cc1O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IL1B P01584 14/20 0.59
NLRP3 Q96P20 8/20 0.59
TNF P01375 1/20 0.56
PIM1 P11309 1/20 0.42

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
SCHEMBL31057144 0.93 IL1B (0.68) IL1BNLRP3TNFPIM1
Hydrochloric Acid SCHEMBL31057159 0.92 IL1B (0.67) IL1BNLRP3TNFPIM1
SCHEMBL31681900 0.83 NLRP3 (0.54) IL1BNLRP3TNFPIM1
SCHEMBL24575705 0.83 NLRP3 (0.67) IL1BNLRP3TNF
SCHEMBL30833946 0.81 NLRP3 (0.55) IL1BNLRP3TNF
SCHEMBL30519335 0.81 IL1B (0.57) IL1BNLRP3TNFPIM1
SCHEMBL25249164 0.81 IL1B (0.57) IL1BNLRP3TNFPIM1
SCHEMBL29307331 0.79 IL1B (0.61) IL1BNLRP3TNF
SCHEMBL29307307 0.79 IL1B (0.58) IL1BNLRP3TNF
Hydrochloric Acid SCHEMBL31057201 0.77 IL1B (0.67) IL1BNLRP3TNFPIM1

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