SCHEMBL30973540

SCHEMBL30973540

COc1cc(C)cc(C)c1-c1cc2c(nn1)c(Br)cn2C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BRD4 O60885 1/20 0.31
GRM5 P41594 1/20 0.31
GRM1 Q13255 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
FGFR1 P11362 1/20 0.30

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
SCHEMBL30973438 0.80 BRD4 (0.33) CYP2C9CYP2C19NPSR1BRD4GRM5
SCHEMBL30973500 0.80 GRM5 (0.34) GRM5GRM1
SCHEMBL30973562 0.79 HTR2A (0.36) NPSR1FGFR1
SCHEMBL2994058 0.74 MTNR1A (0.35) BRD4MTNR1AMTNR1BL3MBTL1
SCHEMBL21060380 0.70 KCNH2 (0.34) CYP2C9CYP2C19NPSR1BRD4L3MBTL1
SCHEMBL30675219 0.70 KCNH2 (0.34) CYP2C9CYP2C19NPSR1BRD4L3MBTL1
SCHEMBL31370601 0.69 MTNR1A (0.41) MTNR1AMTNR1BL3MBTL1
SCHEMBL3109280 0.69 MTNR1A (0.41) MTNR1AMTNR1BL3MBTL1
SCHEMBL20689528 0.67 L3MBTL1 (0.35) CYP2C9CYP2C19NPSR1L3MBTL1
SCHEMBL29361457 0.66 GRIN2B (0.34) L3MBTL1

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-4642784-A1 HETEROCYCLIC AND HETEROARYL COMPOUNDS AS INHIBITORS OF NLRP3 PTC Therapeutics, Inc. (US) 2025-11-05 EP disclosed
WO-2024145623-A1 HETEROCYCLIC AND HETEROARYL COMPOUNDS AS INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed