SCHEMBL3255751

SCHEMBL3255751

OC(CCN1CCCCC1)c1cn(Cc2ccccc2Br)c2ccc(Br)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.43
MEN1 O00255 1/20 0.43
RAD52 P43351 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP19A1 P11511 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
CACNB4 O00305 3/20 0.39
CACNA1A O00555 3/20 0.39
CACNA1G O43497 3/20 0.39
CACNG3 O60359 3/20 0.39
CACNA1F O60840 3/20 0.39
CACNA1H O95180 3/20 0.39
CACNB3 P54284 3/20 0.39
CACNA2D1 P54289 3/20 0.39
CACNG7 P62955 3/20 0.39
CACNA1B Q00975 3/20 0.39
CACNA1D Q01668 3/20 0.39
CACNB1 Q02641 3/20 0.39
CACNG1 Q06432 3/20 0.39
CACNB2 Q08289 3/20 0.39

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
SCHEMBL3256687 0.99 HTR6 (0.44) HTR6MEN1RAD52KMT2ACYP19A1
SCHEMBL3248439 0.81 HTR6 (0.51) HTR6MEN1RAD52KMT2ACYP19A1
SCHEMBL4431649 0.80 HTR6 (0.52) HTR6CYP19A1CACNB4CACNA1ACACNA1G
SCHEMBL5231031 0.78 HTR6 (0.57) HTR6CYP2D6CYP2C19
SCHEMBL4553448 0.77 HTR6 (0.42) HTR6MEN1RAD52KMT2ACYP19A1
SCHEMBL3257361 0.72 HTR6 (0.65) HTR6L3MBTL1ALDH1A1CYP2D6CYP2C19
SCHEMBL3251276 0.70 HTR6 (0.66) HTR6CYP19A1L3MBTL1TSHRCNR2
SCHEMBL7357652 0.69 NPSR1 (0.39) MEN1RAD52KMT2AL3MBTL1TSHR
SCHEMBL5227156 0.69 HTR6 (0.48) HTR6CYP2D6CYP2C19
SCHEMBL19396331 0.67 HTR6 (0.57) HTR6CACNB4CACNA1ACACNA1GCACNG3

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
EP-1537113-B9 ARYLALKYL INDOLES HAVING SEROTONIN RECEPTOR AFFINITY USEFUL AS THERAPEUTIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SUVEN LIFE SCIENCES LTD (IN) 2010-05-26 EP disclosed
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