SCHEMBL8900871

SCHEMBL8900871

c1ccc(C(C(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)n2ccnc2)N2CCNCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.54
HTR1B P28222 20/20 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
SCHEMBL8899371 0.82 HTR1D (0.52) HTR1DHTR1B
SCHEMBL8664623 0.76 HTR1D (0.64) HTR1DHTR1B
SCHEMBL8414669 0.76 HTR1D (0.63) HTR1DHTR1B
SCHEMBL8899622 0.75 HTR1D (0.51) HTR1DHTR1B
SCHEMBL8693154 0.75 HTR1D (0.58) HTR1DHTR1B
SCHEMBL8900839 0.75 HTR1D (0.56) HTR1DHTR1B
SCHEMBL8470504 0.74 HTR1D (0.53) HTR1DHTR1B
SCHEMBL7473164 0.74 HTR1D (0.75) HTR1DHTR1B
SCHEMBL8693596 0.74 HTR1D (0.57) HTR1DHTR1B
SCHEMBL8661968 0.73 HTR1D (0.60) 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
WO-1997017338-A1 SUBSTITUTED 1-INDOLYLPROPYL-4-BENZYLPIPERAZINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-15 WO disclosed