SCHEMBL31556548

SCHEMBL31556548

O=C1NC(=C=S)N(Cc2ccccc2[C@@H]2CNCCO2)c2cc[nH]c21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 2/20 0.31
▸ KCNH2 Q12809 2/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ DRD2 P14416 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ MPO P05164 2/20 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
SCHEMBL31556636 1.00 HRH1 (0.31) HRH1KCNH2CYP2D6DRD2HTR2A
SCHEMBL31556616 1.00 HRH1 (0.31) HRH1KCNH2CYP2D6DRD2HTR2A
SCHEMBL31556533 1.00 HRH1 (0.31) HRH1KCNH2CYP2D6DRD2HTR2A
SCHEMBL31556585 0.82 MPO (0.32) HTR2AMPO
SCHEMBL31556524 0.82 SLC6A2 (0.37) MPO
SCHEMBL31556586 0.80 MPO (0.35) MPO
SCHEMBL31556545 0.80 MPO (0.35) MPO
SCHEMBL31556555 0.77 MPO (0.50) MPO
SCHEMBL31556574 0.77 MPO (0.50) MPO
SCHEMBL31556712 0.77 MPO (0.50) MPO

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
CN-119894896-A Inhibitors of green peroxidase 阿斯利康(瑞典)有限公司 2025-04-25 — — CN claimed
CN-119894896-A Inhibitors of green peroxidase 阿斯利康(瑞典)有限公司 2025-04-25 — — CN disclosed
Send feedback