SCHEMBL8758708

SCHEMBL8758708

NCCc1cn(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.51
▸ CACNB4 O00305 3/20 0.50
▸ CACNA1A O00555 3/20 0.50
▸ CACNA1G O43497 3/20 0.50
▸ CACNG3 O60359 3/20 0.50
▸ CACNA1F O60840 3/20 0.50
▸ CACNA1H O95180 3/20 0.50
▸ CACNB3 P54284 3/20 0.50
▸ CACNA2D1 P54289 3/20 0.50
▸ CACNG7 P62955 3/20 0.50
▸ CACNA1B Q00975 3/20 0.50
▸ CACNA1D Q01668 3/20 0.50
▸ CACNB1 Q02641 3/20 0.50
▸ CACNG1 Q06432 3/20 0.50
▸ CACNB2 Q08289 3/20 0.50
▸ CACNA1S Q13698 3/20 0.50
▸ CACNA1C Q13936 3/20 0.50
▸ CACNA1E Q15878 3/20 0.50
▸ CACNA2D4 Q7Z3S7 3/20 0.50
▸ CACNA2D3 Q8IZS8 3/20 0.50

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
SCHEMBL7753094 0.85 HTR6 (0.69) HTR6KDRCYP19A1YES1JAK3
SCHEMBL10466866 0.85 PLA2G4A (0.44) HTR6CACNB4CACNA1ACACNA1GCACNG3
Hydrochloric Acid SCHEMBL8986547 0.84 HTR6 (0.67) HTR6KDRCYP19A1YES1JAK3
SCHEMBL7682159 0.84 HTR6 (0.46) HTR6KDREGFRIGF1RFLT4
SCHEMBL8233006 0.81 HTR6 (0.48) HTR6KDREGFRIGF1RFLT4
SCHEMBL8986536 0.80 TAAR1 (0.50) HTR6CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL13621791 0.78 ALDH1A1 (0.66) HTR6CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL20769719 0.77 ALDH1A1 (0.65) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL379053 0.77 ADRB2 (0.64) HTR6HTR2ATRPM8
SCHEMBL29043456 0.76 PLA2G2A (0.69) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623138-B1 NEW ADENOSINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM UNION PHARMA SCIENT APPL (FR) 1997-05-21 — — EP disclosed
US-5480983-A ANALGESICS, HYPOTENSIVE AGENTS LABORATOIRES UPSA (FR) 1996-01-02 — — US disclosed
EP-0623138-A1 NEW ADENOSINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. UNION PHARMA SCIENT APPL (FR) 1994-11-09 — — EP disclosed
WO-1993014102-A1 NEW ADENOSINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATOIRES UPSA (FR) 1993-07-22 — — WO disclosed
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