SCHEMBL8339013

SCHEMBL8339013

CNC(=O)NC(=O)C(CN=S(=O)=O)N1CCOC(c2ccc(OC)cc2)C1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ BLM P54132 1/20 0.31
▸ TP53 P04637 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
SCHEMBL8340005 0.81 DRD3 (0.31) CNR2CYP1A2CYP2C9CYP2C19
SCHEMBL8335797 0.79 OPRK1 (0.41) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL8339176 0.79 OPRM1 (0.39) CYP2D6LMNASLC6A2SLC6A4SLC6A3
SCHEMBL19049385 0.67 PDE2A (0.44) CYP2D6GSK3BCYP1A2CYP3A4CYP2C9
SCHEMBL8339200 0.67 DRD3 (0.36) CYP1A2CYP3A4CYP2C9PKMCYP2C19
SCHEMBL27873292 0.67 CNR2 (0.48) CNR2CYP2D6GSK3B
SCHEMBL19002794 0.67 DRD3 (0.47) LMNA
SCHEMBL8339477 0.65 GPR88 (0.40) CNR2CYP1A2CYP3A4CYP2C9PKM
SCHEMBL9906056 0.64 LMNA (0.46) CNR2CYP2D6GSK3BLMNA
SCHEMBL24394579 0.63 CYP2D6 (0.46) CNR2CYP2D6GSK3BSLC6A2SLC6A4

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
US-5977177-A Substituted benzenesulfonylureas and-thioureas, processes for their preparation and use of pharmaceutical preparations based on these compounds, and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1999-11-02 — — US disclosed
US-5880155-A TREATMENT OF CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1999-03-09 — — US disclosed
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