SCHEMBL10466866

SCHEMBL10466866

NCCc1cn(Cc2ccc(Cl)cc2)c2ccc(CS(N)(=O)=O)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 1/20 0.44
▸ HTR6 P50406 4/20 0.44
▸ CACNB4 O00305 1/20 0.43
▸ CACNA1A O00555 1/20 0.43
▸ CACNA1G O43497 1/20 0.43
▸ CACNG3 O60359 1/20 0.43
▸ CACNA1F O60840 1/20 0.43
▸ CACNA1H O95180 1/20 0.43
▸ CACNB3 P54284 1/20 0.43
▸ CACNA2D1 P54289 1/20 0.43
▸ CACNG7 P62955 1/20 0.43
▸ CACNA1B Q00975 1/20 0.43
▸ CACNA1D Q01668 1/20 0.43
▸ CACNB1 Q02641 1/20 0.43
▸ CACNG1 Q06432 1/20 0.43
▸ CACNB2 Q08289 1/20 0.43
▸ CACNA1S Q13698 1/20 0.43
▸ CACNA1C Q13936 1/20 0.43
▸ CACNA1E Q15878 1/20 0.43
▸ CACNA2D4 Q7Z3S7 1/20 0.43

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
SCHEMBL10494723 0.91 PLA2G4A (0.55) PLA2G4AHTR6KDREGFRIGF1R
SCHEMBL10465300 0.86 EGFR (0.57) HTR6KDREGFRIGF1RFLT4
SCHEMBL8758708 0.85 HTR6 (0.51) PLA2G4AHTR6CACNB4CACNA1ACACNA1G
SCHEMBL10494798 0.84 HTR6 (0.41) PLA2G4AHTR6KDREGFRIGF1R
SCHEMBL10465308 0.84 CACNB4 (0.42) PLA2G4AHTR6CACNB4CACNA1ACACNA1G
SCHEMBL9597127 0.82 HTR6 (0.35) PLA2G4AHTR6KDREGFRIGF1R
SCHEMBL9800395 0.80 PLA2G4A (0.60) PLA2G4AHTR6KDREGFRIGF1R
SCHEMBL10494701 0.80 EGFR (0.48) PLA2G4AHTR6KDREGFRIGF1R
SCHEMBL5918471 0.79 ADRB2 (0.56) HTR6
Hydrochloric Acid SCHEMBL7558473 0.78 ADRB2 (0.54) HTR6KDREGFRIGF1RFLT4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4894387-A RELIEF FROM PAIN FROM VASODILATION GLAXO GROUP LIMITED (GB) 1990-01-16 — — US disclosed
EP-0147107-B1 INDOLE DERIVATES GLAXO GROUP LIMITED (GB) 1989-08-02 — — EP disclosed
EP-0147107-A1 Indole derivates GLAXO GROUP LIMITED (GB) 1985-07-03 — — EP disclosed
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