SCHEMBL9325797

SCHEMBL9325797

CCCC(Cc1ccsc1)N(CC)CCCCc1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ KCNH2 Q12809 5/20 0.39
▸ DRD3 P35462 3/20 0.39
▸ CACNA1F O60840 2/20 0.39
▸ CHRM2 P08172 2/20 0.39
▸ CACNA1D Q01668 2/20 0.39
▸ CACNA1S Q13698 2/20 0.39
▸ CACNA1C Q13936 2/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ HPGD P15428 2/20 0.37
▸ LMNA P02545 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ ACHE P22303 1/20 0.35
▸ AGTR1 P30556 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL9324382 0.87 KDM4E (0.39) KDM4EKCNH2DRD3CACNA1FCHRM2
SCHEMBL9326474 0.83 LMNA (0.44) KDM4EKCNH2DRD3CACNA1FCHRM2
SCHEMBL9326153 0.82 DRD2 (0.37) KCNH2DRD3HTR2ADRD2OPRM1
SCHEMBL9325771 0.80 KCNH2 (0.50) KCNH2DRD3DRD2
SCHEMBL9326401 0.73 NPC1 (0.48) KCNH2DRD3CACNA1FCHRM2CACNA1D
SCHEMBL10896046 0.73 KCNH2 (0.53) KDM4EKCNH2DRD3CACNA1FCHRM2
SCHEMBL3719859 0.72 KCNH2 (0.57) KDM4EKCNH2DRD3CACNA1FCHRM2
SCHEMBL9325624 0.70 KCNH2 (0.48) KCNH2DRD3CACNA1FCHRM2CACNA1D
SCHEMBL10878888 0.70 KCNH2 (0.54) KDM4EKCNH2DRD3CACNA1FCHRM2
SCHEMBL9624530 0.70 KDM4E (0.58) KDM4EKCNH2DRD3CACNA1FCHRM2

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-5310941-A Antiarrythmia agents ORTHO PHARMACEUTICAL CORPORATION (US) 1994-05-10 — — US disclosed
US-5208252-A Antiarrhythmia ORTHO PHARMACEUTICAL CORPORATION (US) 1993-05-04 — — US disclosed
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