SCHEMBL8694444

SCHEMBL8694444

Fc1ccc(CCC2CC(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CCN2)cc1F

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.61
HTR1B P28222 20/20 0.61
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR1F P30939 1/20 0.48

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
SCHEMBL8693127 0.89 HTR1D (0.62) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL8694554 0.88 HTR1D (0.59) HTR1DHTR1B
SCHEMBL8696860 0.88 HTR1D (0.61) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL7476231 0.82 HTR1D (0.80) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL8431453 0.78 HTR1D (0.68) HTR1DHTR1B
SCHEMBL8411686 0.76 HTR1D (0.68) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL7481042 0.76 HTR1D (1.00) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL8694447 0.75 HTR1D (0.60) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL8699524 0.72 HTR1D (0.51) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL8411688 0.72 HTR1D (0.63) 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