SCHEMBL8473418

SCHEMBL8473418

COCC(c1ccc(F)cc1)N1CCNCC1CCCc1c[nH]c2ccc(-n3cnnc3)cc12

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.58
HTR1B P28222 19/20 0.58
HTR2A P28223 2/20 0.49
HTR1A P08908 1/20 0.49
HTR2C P28335 1/20 0.45
HTR1F P30939 1/20 0.45

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
SCHEMBL8473585 0.94 HTR1D (0.55) HTR1DHTR1BHTR2AHTR1AHTR2C
SCHEMBL8472475 0.90 HTR1D (0.52) HTR1DHTR1BHTR2AHTR1AHTR2C
SCHEMBL8470626 0.90 HTR1D (0.57) HTR1DHTR1BHTR2AHTR1AHTR2C
SCHEMBL8471236 0.89 HTR1D (0.54) HTR1DHTR1BHTR2AHTR1AHTR2C
SCHEMBL8472304 0.89 HTR1D (0.51) HTR1DHTR1BHTR2AHTR1AHTR2C
SCHEMBL8694034 0.88 HTR1D (0.53) HTR1DHTR1BHTR2AHTR1AHTR2C
SCHEMBL8473552 0.85 HTR1D (0.50) HTR1DHTR1BHTR2AHTR1AHTR2C
SCHEMBL8470917 0.84 HTR1D (0.47) HTR1DHTR1BHTR2AHTR1AHTR2C
SCHEMBL8695456 0.84 HTR1D (0.56) HTR1DHTR1BHTR2AHTR1AHTR2C
SCHEMBL8693152 0.82 HTR1D (0.59) HTR1DHTR1BHTR2AHTR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808064-A HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE MERCK & CO., INC. (US) 1998-09-15 US claimed
US-5925638-A Substituted 1-indolylpropyl-4-benzylpiperazine derivatives MERCK SHARP & DOHME LTD. (GB) 1999-07-20 US disclosed