SCHEMBL8412874

SCHEMBL8412874

COc1cccc(CCN2CCNCC2CCCc2c[nH]c3ccc(-n4cnnc4)cc23)c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.53
HTR1B P28222 20/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR1F P30939 1/20 0.53

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
SCHEMBL8659333 0.89 HTR1D (0.66) HTR1DHTR1B
SCHEMBL8413944 0.88 HTR1D (0.68) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL8664620 0.87 HTR1D (0.61) HTR1DHTR1B
SCHEMBL8413674 0.86 HTR1D (0.55) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL8661505 0.85 HTR1D (0.71) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL8411686 0.84 HTR1D (0.68) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL8410888 0.84 HTR1D (0.67) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL8411443 0.84 HTR1D (0.67) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL8661963 0.84 HTR1D (0.58) HTR1DHTR1B
SCHEMBL8662143 0.83 HTR1D (0.63) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5889008-A Substituted 1-indolylpropyl-4-phenethylpiperazadine derivatives MERCK SHARP & DOHME, LTD. (GB) 1999-03-30 US claimed
US-5808064-A HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE MERCK & CO., INC. (US) 1998-09-15 US claimed
US-5889008-A Substituted 1-indolylpropyl-4-phenethylpiperazadine derivatives MERCK SHARP & DOHME, LTD. (GB) 1999-03-30 US disclosed
US-5808064-A HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE MERCK & CO., INC. (US) 1998-09-15 US disclosed