SCHEMBL31332409

SCHEMBL31332409

O=S1(=NC2CC2)CCNCc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.36
CD44 P16070 1/20 0.36
MAOB P27338 1/20 0.36
RYR2 Q92736 1/20 0.32
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31

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
SCHEMBL2589655 0.74 CD44 (0.45) PNMTCD44MAOBRYR2
Hydrochloric Acid SCHEMBL5849050 0.73 CD44 (0.44) PNMTCD44MAOBRYR2
SCHEMBL7348045 0.60 PNMT (0.36) PNMTCD44MAOBRYR2
SCHEMBL29412491 0.60 KEAP1 (0.40) PNMTCD44MAOBRYR2
SCHEMBL11852161 0.60 PNMT (0.75) PNMTCD44MAOBRYR2
SCHEMBL29681708 0.58 KEAP1 (0.44)
SCHEMBL61176 0.58 KEAP1 (0.44)
SCHEMBL31332205 0.58 PNMT (0.38) PNMTCD44MAOBRYR2
SCHEMBL31332225 0.57 SIGMAR1 (0.43) PNMTCD44MAOB
Hydrochloric Acid SCHEMBL7399331 0.57 KEAP1 (0.43)

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