SCHEMBL6819132

SCHEMBL6819132

N#Cc1ccc2[nH]cc(CCCCN3CCN(c4nc(C(N)Cc5ccccc5)cs4)CC3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.59
SLC6A4 P31645 2/20 0.55
DRD2 P14416 1/20 0.55
HTR2A P28223 1/20 0.55
HTR6 P50406 1/20 0.54
KCNH2 Q12809 1/20 0.54

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
SCHEMBL7063561 0.88 HTR1A (0.63) HTR1A
SCHEMBL6819682 0.84 HTR1A (0.54) HTR1ASLC6A4HTR6KCNH2
SCHEMBL6819734 0.82 HTR1A (0.69) HTR1ADRD2HTR2A
SCHEMBL7195440 0.81 HTR1A (0.63) HTR1ASLC6A4DRD2HTR2A
SCHEMBL6819884 0.80 HTR1A (0.69) HTR1A
SCHEMBL6815311 0.80 HTR1A (0.62) HTR1ASLC6A4DRD2HTR2A
SCHEMBL6819326 0.79 HTR1A (0.65) HTR1ADRD2HTR2A
SCHEMBL6919604 0.78 HTR1A (0.67) HTR1ASLC6A4DRD2KCNH2
SCHEMBL8542180 0.78 HTR1A (0.78) HTR1ADRD2
SCHEMBL6823577 0.77 HTR1A (0.60) HTR1ASLC6A4DRD2HTR2A

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-2004041815-A1 INDOLE DERIVATIVE WITH 5HT1A AFFINITY MERCK PATENT GMBH (DE) 2004-05-21 WO claimed