SCHEMBL7477067

SCHEMBL7477067

COC1(Cc2ccccc2)CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.77
HTR1B P28222 20/20 0.77

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
SCHEMBL7478077 0.92 HTR1D (0.72) HTR1DHTR1B
SCHEMBL7478714 0.91 HTR1D (0.79) HTR1DHTR1B
SCHEMBL7479486 0.89 HTR1D (0.80) HTR1DHTR1B
Oxalic Acid SCHEMBL8111216 0.89 HTR1D (0.66) HTR1DHTR1B
Oxalic Acid SCHEMBL8111341 0.89 HTR1D (0.73) HTR1DHTR1B
SCHEMBL4351734 0.87 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7479858 0.87 HTR1D (1.00) HTR1DHTR1B
Oxalic Acid SCHEMBL8110300 0.87 HTR1D (0.73) HTR1DHTR1B
SCHEMBL7479048 0.83 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7474143 0.82 HTR1D (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0925302-B1 PALLADIUM CATALYZED INDOLIZATION MERCK & CO INC (US) 2002-11-20 EP claimed
US-5808064-A HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE MERCK & CO., INC. (US) 1998-09-15 US claimed
EP-0925302-B1 PALLADIUM CATALYZED INDOLIZATION MERCK & CO INC (US) 2002-11-20 EP disclosed
US-6048878-A Substituted piperidine derivatives as selective agonists of 5-HT receptors MERCK SHARP & DOHME LTD. (GB) 2000-04-11 US disclosed
US-5808064-A HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE MERCK & CO., INC. (US) 1998-09-15 US disclosed