SCHEMBL4733029

SCHEMBL4733029

CN1CC=C(c2cc3cc(F)ccc3n2S(=O)(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.46
ACLY P53396 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
THRB P10828 2/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A4 P31645 2/20 0.38

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
SCHEMBL4675218 0.82 HTR6 (0.45) HTR6ACLYTHRBLMNASLC6A4
SCHEMBL4671006 0.78 HTR6 (0.73) HTR6CYP3A4CYP2D6SLC6A4
SCHEMBL4677214 0.76 HTR6 (0.42) HTR6THRBLMNAKDM4EMEN1
SCHEMBL7499298 0.72 HTR6 (0.47) HTR6
SCHEMBL24107949 0.71 LMNA (0.52) HTR6ACLYTHRBLMNA
SCHEMBL4671073 0.71 HTR6 (0.74) HTR6CYP3A4CYP2D6SLC6A4
SCHEMBL4674305 0.70 HTR6 (0.82) HTR6CYP3A4CYP2D6SLC6A4
SCHEMBL4671035 0.70 HTR6 (0.59) HTR6CYP3A4CYP2D6SLC6A4
SCHEMBL4671281 0.69 HTR6 (0.76) HTR6CYP3A4CYP2D6THRBLMNA
SCHEMBL14953618 0.68 ACLY (0.61) ACLYLMNA

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-1173432-B9 PIPERIDINE-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY NPS ALLELIX CORP (CA) 2008-10-15 EP claimed
EP-1173432-B1 PIPERIDINE-INDOLE COMPOUNDS HAVING 5-HT6 AFFINITY NPS ALLELIX CORP (CA) 2007-10-17 EP claimed