SCHEMBL8470818

SCHEMBL8470818

OCC(c1ccccc1)N1CCNCC1CCCc1c[nH]c2ccc(-n3cnnc3)cc12

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.64
HTR1B P28222 20/20 0.64

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
SCHEMBL8472025 0.94 HTR1D (0.58) HTR1DHTR1B
SCHEMBL8470626 0.92 HTR1D (0.57) HTR1DHTR1B
SCHEMBL8470606 0.92 HTR1D (0.55) HTR1DHTR1B
SCHEMBL8471595 0.90 HTR1D (0.57) HTR1DHTR1B
SCHEMBL8470712 0.87 HTR1D (0.51) HTR1DHTR1B
SCHEMBL8471236 0.86 HTR1D (0.54) HTR1DHTR1B
SCHEMBL8470504 0.86 HTR1D (0.53) HTR1DHTR1B
SCHEMBL8693159 0.86 HTR1D (0.58) HTR1DHTR1B
SCHEMBL8473806 0.86 HTR1D (0.49) HTR1DHTR1B
SCHEMBL8475010 0.85 HTR1D (0.49) HTR1DHTR1B

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
US-5925638-A Substituted 1-indolylpropyl-4-benzylpiperazine derivatives MERCK SHARP & DOHME LTD. (GB) 1999-07-20 US disclosed