SCHEMBL30973530

SCHEMBL30973530

CN1CCC=C(c2csc3ccnnc23)C1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.40
CHRM1 P11229 2/20 0.39
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 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
SCHEMBL30973284 0.69 IL1B (0.37) HTR2ACHRM1
SCHEMBL30870497 0.69 HTR2C (0.41)
SCHEMBL30973521 0.68 HTR2A (0.36) HTR2ACHRM1
SCHEMBL9772068 0.61 CHRM1 (0.44) CHRM1
SCHEMBL9451991 0.61 CHRM2 (0.50)
SCHEMBL9342114 0.61 CHRM2 (0.50) CHRM1
SCHEMBL2855719 0.60 CHRNB2 (0.49) HTR2ACHRM1CHRNB4CHRNA3CHRNB2
SCHEMBL10433194 0.60 CHRM1 (0.51) CHRM1CHRNB2CHRNA4
SCHEMBL25244254 0.60 HTR2A (0.66) HTR2ACHRM1CHRNB2CHRNA4
SCHEMBL25769584 0.59 DYRK1A (0.45) HTR2ACHRM1CHRNB4CHRNA3CHRNB2

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