SCHEMBL6826388

SCHEMBL6826388

CCOc1ccc2[nH]c(C(=O)N3CCN(C)CC3)cc2c1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 14/20 0.76
HRH3 Q9Y5N1 3/20 0.65
HRH1 P35367 1/20 0.65
SYK P43405 1/20 0.65
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
DRD2 P14416 2/20 0.62
DRD3 P35462 2/20 0.62
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61

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
SCHEMBL1429630 0.86 HRH4 (1.00) HRH4HRH3HRH1NPC1RAB9A
SCHEMBL603468 0.85 HRH4 (0.69) HRH4HRH3HRH1SYKDRD2
SCHEMBL603564 0.82 HRH4 (0.74) HRH4HRH3HRH1NPC1RAB9A
SCHEMBL12826978 0.81 HRH4 (0.70) HRH4HRH3HRH1SYK
SCHEMBL5017140 0.81 HRH4 (0.62) HRH4HRH3HRH1SYKNPC1
SCHEMBL13174267 0.81 AKR1C3 (0.81) HRH4HRH3NPC1RAB9ADRD2
SCHEMBL601515 0.80 HRH4 (1.00) HRH4HRH3HRH1NPC1RAB9A
SCHEMBL6130834 0.80 HRH4 (1.00) HRH4HRH3HRH1
SCHEMBL14650937 0.80 SYK (1.00) SYK
SCHEMBL9410529 0.79 DRD3 (0.78) HRH4NPC1RAB9ADRD2DRD3

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
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