SCHEMBL6936730

SCHEMBL6936730

CCN(CC)CCc1c[nH]c2ccc(-n3cnnc3)cc12

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 14/20 0.79
HTR1B P28222 13/20 0.79
MPO P05164 2/20 0.62
HTR1A P08908 2/20 0.60
HTR6 P50406 1/20 0.57
HTR2A P28223 2/20 0.55

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
SCHEMBL6945199 0.93 HTR1D (0.72) HTR1DHTR1BMPO
SCHEMBL6943364 0.88 HTR1D (1.00) HTR1DHTR1BMPOHTR1AHTR2A
SCHEMBL8781600 0.87 HTR1D (0.74) HTR1DHTR1B
SCHEMBL8118432 0.81 HTR1D (0.70) HTR1DHTR1BMPOHTR2A
SCHEMBL8648919 0.81 HTR1D (0.70) HTR1DHTR1B
SCHEMBL8414664 0.81 HTR1D (0.70) HTR1DHTR1B
SCHEMBL7480727 0.81 HTR1D (0.70) HTR1DHTR1B
SCHEMBL6943928 0.80 HTR1D (0.76) HTR1DHTR1B
SCHEMBL6946024 0.80 HTR1A (0.60) HTR1DHTR1BMPOHTR1AHTR6
SCHEMBL8058959 0.79 HTR1D (0.67) 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 9 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
EP-0925302-A1 PALLADIUM CATALYZED INDOLIZATION Merck & Co., Inc. (US) 1999-06-30 EP claimed
US-5808064-A HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE MERCK & CO., INC. (US) 1998-09-15 US claimed
WO-1998006725-A1 PALLADIUM CATALYZED INDOLIZATION MERCK & CO., INC. (US) 1998-02-19 WO claimed
US-5567824-A CATALYZING THE CYCLIZATION IN PRESENCE OF A SOLVENT AND A PROTON ACCEPTOR MERCK & CO., INC. (US) 1996-10-22 US claimed
EP-0763032-B1 PALLADIUM CATALYZED RING CLOSURE OF TRIAZOLYL TRYPTAMINE MERCK & CO INC (US) 2003-10-15 EP disclosed
EP-0925302-B1 PALLADIUM CATALYZED INDOLIZATION MERCK & CO INC (US) 2002-11-20 EP disclosed
US-5808064-A HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE MERCK & CO., INC. (US) 1998-09-15 US disclosed
US-5567824-A CATALYZING THE CYCLIZATION IN PRESENCE OF A SOLVENT AND A PROTON ACCEPTOR MERCK & CO., INC. (US) 1996-10-22 US disclosed