SCHEMBL8693127

SCHEMBL8693127

Fc1cccc(CCC2CC(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CCN2)c1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.62
HTR1B P28222 19/20 0.62
HTR2A P28223 1/20 0.62
HTR2C P28335 1/20 0.62
HTR1F P30939 1/20 0.62

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
SCHEMBL8694444 0.89 HTR1D (0.61) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL8696860 0.87 HTR1D (0.61) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL8694554 0.85 HTR1D (0.59) HTR1DHTR1B
SCHEMBL7479750 0.83 HTR1D (0.81) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL8431453 0.78 HTR1D (0.68) HTR1DHTR1B
SCHEMBL8413944 0.77 HTR1D (0.68) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL7477108 0.77 HTR1D (1.00) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL8693132 0.75 HTR1D (0.61) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL7908237 0.74 HTR1D (0.62) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL7908234 0.74 HTR1D (0.62) HTR1DHTR1BHTR2AHTR2CHTR1F

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-5808064-A HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE MERCK & CO., INC. (US) 1998-09-15 US disclosed