SCHEMBL31332057

SCHEMBL31332057

O=S1(=O)CCNCc2cnccc21

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
PKN2 Q16513 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2A P28223 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
SCHEMBL31332153 0.87 CHRNB2 (0.41) CHRNB2CHRNA4PKN2SIGMAR1HTR2C
SCHEMBL844869 0.77 SIGMAR1 (0.42) CHRNB2CHRNA4SIGMAR1
SCHEMBL2589655 0.75 CD44 (0.45) HTR2C
Hydrochloric Acid SCHEMBL5849050 0.74 CD44 (0.44) HTR2C
SCHEMBL13786480 0.72 CHRNB2 (0.37) CHRNB2CHRNA4SIGMAR1
SCHEMBL31332380 0.68 SLC40A1 (0.31)
SCHEMBL2565015 0.67 CHRNB2 (0.77) CHRNB2CHRNA4PKN2SIGMAR1
SCHEMBL587887 0.67 CHRNB2 (0.77) CHRNB2CHRNA4PKN2SIGMAR1HTR2C
SCHEMBL30183351 0.67 CHRNB2 (0.77) CHRNB2CHRNA4PKN2SIGMAR1
SCHEMBL29850369 0.67 CHRNB2 (0.77) CHRNB2CHRNA4PKN2SIGMAR1HTR2C

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
WO-2025011580-A1 COMPOUND FOR TREATING AND PREVENTING RESPIRATORY SYNCYTIAL VIRUS INFECTION DISEASES 石药集团中奇制药技术(石家庄)有限公司 2025-01-16 WO disclosed
CN-119285628-A Compounds for the treatment and prophylaxis of respiratory syncytial virus infection diseases 石药集团中奇制药技术(石家庄)有限公司 2025-01-10 CN disclosed