SCHEMBL4553448

SCHEMBL4553448

OC(CCc1cn(Cc2ccccc2Br)c2ccc(Br)cc12)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.42
MEN1 O00255 1/20 0.39
RAD52 P43351 1/20 0.39
KMT2A Q03164 1/20 0.39
CACNB4 O00305 4/20 0.37
CACNA1A O00555 4/20 0.37
CACNA1G O43497 4/20 0.37
CACNG3 O60359 4/20 0.37
CACNA1F O60840 4/20 0.37
CACNA1H O95180 4/20 0.37
CACNB3 P54284 4/20 0.37
CACNA2D1 P54289 4/20 0.37
CACNG7 P62955 4/20 0.37
CACNA1B Q00975 4/20 0.37
CACNA1D Q01668 4/20 0.37
CACNB1 Q02641 4/20 0.37
CACNG1 Q06432 4/20 0.37
CACNB2 Q08289 4/20 0.37
CACNA1S Q13698 4/20 0.37
CACNA1C Q13936 4/20 0.37

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
SCHEMBL3248439 0.82 HTR6 (0.51) HTR6MEN1RAD52KMT2ACACNB4
SCHEMBL4431649 0.81 HTR6 (0.52) HTR6CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL3255751 0.77 HTR6 (0.43) HTR6MEN1RAD52KMT2ACACNB4
SCHEMBL3256687 0.76 HTR6 (0.44) HTR6MEN1RAD52KMT2ACACNB4
SCHEMBL3257361 0.74 HTR6 (0.65) HTR6ALDH1A1L3MBTL1
SCHEMBL3264614 0.74 HTR6 (0.54) HTR6CYP19A1
SCHEMBL28751628 0.72 HTR6 (0.42) HTR6MEN1KMT2ACYP19A1CNR2
SCHEMBL3252401 0.72 HTR6 (0.44) HTR6CYP19A1TSHRFNTAFNTB
SCHEMBL3256699 0.71 HTR6 (0.43) HTR6CYP19A1CNR2FNTAFNTB
SCHEMBL3251276 0.69 HTR6 (0.66) HTR6CYP19A1CNR2PLK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537113-B1 ARYLALKYL INDOLES HAVING SEROTONIN RECEPTOR AFFINITY USEFUL AS THERAPEUTIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SUVEN LIFE SCIENCES LTD (IN) 2009-10-07 EP disclosed