SCHEMBL8899622

SCHEMBL8899622

O=C1OCCN1C(CCCc1c[nH]c2ccc(-n3cnnc3)cc12)C(c1ccc(F)cc1)N1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.51
HTR1B P28222 20/20 0.51
HTR2A P28223 2/20 0.48
HTR1A P08908 1/20 0.48
HTR2C P28335 1/20 0.43
HTR1F P30939 1/20 0.43

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 0.93 HTR1D (0.52) HTR1DHTR1B
SCHEMBL8693154 0.81 HTR1D (0.58) HTR1DHTR1BHTR2AHTR1AHTR2C
SCHEMBL8900839 0.81 HTR1D (0.56) HTR1DHTR1BHTR2AHTR1AHTR2C
SCHEMBL8693596 0.80 HTR1D (0.57) HTR1DHTR1BHTR2AHTR1AHTR2C
SCHEMBL8696786 0.79 HTR1D (0.57) HTR1DHTR1BHTR2AHTR1AHTR2C
SCHEMBL8695460 0.78 HTR1D (0.58) HTR1DHTR1BHTR2AHTR1AHTR2C
SCHEMBL8694039 0.77 HTR1D (0.58) HTR1DHTR1BHTR2AHTR1AHTR2C
SCHEMBL8411444 0.77 HTR1D (0.62) HTR1DHTR1BHTR2AHTR1AHTR2C
SCHEMBL8470917 0.76 HTR1D (0.47) HTR1DHTR1BHTR2AHTR1AHTR2C
SCHEMBL8900871 0.75 HTR1D (0.54) 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