SCHEMBL6826574

SCHEMBL6826574

CN1CCN(C(=O)c2c(Cl)c3ccccc3n2S(=O)(=O)c2ccccc2Br)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.53
AVPR1B P47901 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
KMT2A Q03164 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
POLB P06746 1/20 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
SCHEMBL6826804 0.78 HTR6 (0.61) HTR6CYP3A4CYP2D6
SCHEMBL947125 0.77 HTR6 (0.65) HTR6CYP3A4CYP2D6
SCHEMBL6829943 0.77 HTR6 (0.46) HTR6AVPR1BCYP3A4CYP2D6HRH4
SCHEMBL14732435 0.71 FABP3 (0.58) HTR6
SCHEMBL6829294 0.69 HTR6 (0.50) HTR6CYP3A4CYP2D6KMT2AHRH4
SCHEMBL3087652 0.68 POLB (0.59) HTR6CYP3A4CYP2D6KMT2APOLB
SCHEMBL3556363 0.68 HTR6 (0.49) HTR6
SCHEMBL6826369 0.68 HTR6 (0.55) HTR6CYP3A4CYP2D6KMT2A
SCHEMBL27933235 0.66 HTR6 (0.45) HTR6
SCHEMBL6829313 0.66 DRD2 (0.48) HTR6AVPR1BCYP3A4CYP2D6KMT2A

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
WO-2004108671-A1 SUBSTITUTED INDOLES WITH SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SUVEN LIFE SCIENCES LIMITED (IN) 2004-12-16 WO claimed
WO-2004108671-A1 SUBSTITUTED INDOLES WITH SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SUVEN LIFE SCIENCES LIMITED (IN) 2004-12-16 WO disclosed