SCHEMBL30833937

SCHEMBL30833937

OCCN1CCC[C@@H](Nc2nnc(Br)c(C3CC3)n2)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 8/20 0.45
IL1B P01584 2/20 0.38
SMYD3 Q9H7B4 2/20 0.35
HTR1A P08908 2/20 0.33
ROCK2 O75116 4/20 0.33
ROCK1 Q13464 3/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 1/20 0.32
HRH1 P35367 1/20 0.32
PIK3CD O00329 1/20 0.32

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
SCHEMBL30833989 0.86 CAMK2D (0.40) NLRP3IL1BROCK2ROCK1
SCHEMBL25302097 0.82 KAT2B (0.39) NLRP3IL1B
SCHEMBL25302099 0.82 KAT2B (0.39) NLRP3IL1B
SCHEMBL30833928 0.76 KAT2B (0.33) NLRP3
SCHEMBL27292457 0.75 NLRP3 (0.55) NLRP3IL1BROCK2ROCK1
SCHEMBL30834019 0.74 NLRP3 (0.49) NLRP3IL1BROCK2
SCHEMBL30488557 0.72 BTK (0.49) KMT2A
SCHEMBL31039762 0.69 NLRP3 (0.56) NLRP3IL1BROCK2ROCK1
SCHEMBL25294691 0.69 CCNT1 (0.41)
SCHEMBL25294690 0.69 CCNT1 (0.41)

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-4613749-A1 NLRP3 INFLAMMASOME INHIBITOR AND USE THEREOF TransThera Sciences (Nanjing), Inc. (CN) 2025-09-10 EP disclosed
CN-117986258-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2024-05-07 CN disclosed