SCHEMBL6945199

SCHEMBL6945199

CCN(CC)CCCc1c[nH]c2ccc(-n3cnnc3)cc12

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 19/20 0.72
HTR1B P28222 19/20 0.72
MPO P05164 1/20 0.64

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
SCHEMBL6936730 0.93 HTR1D (0.79) HTR1DHTR1BMPO
SCHEMBL8781600 0.84 HTR1D (0.74) HTR1DHTR1B
SCHEMBL6943364 0.84 HTR1D (1.00) HTR1DHTR1BMPO
SCHEMBL8058959 0.82 HTR1D (0.67) HTR1DHTR1B
SCHEMBL8399415 0.81 HTR1D (0.61) HTR1DHTR1B
SCHEMBL8118432 0.79 HTR1D (0.70) HTR1DHTR1BMPO
SCHEMBL7480727 0.79 HTR1D (0.70) HTR1DHTR1B
SCHEMBL8648919 0.79 HTR1D (0.70) HTR1DHTR1B
SCHEMBL8414664 0.79 HTR1D (0.70) HTR1DHTR1B
SCHEMBL6943928 0.78 HTR1D (0.76) 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
US-5808064-A HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE MERCK & CO., INC. (US) 1998-09-15 US 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
EP-0925302-A1 PALLADIUM CATALYZED INDOLIZATION Merck & Co., Inc. (US) 1999-06-30 EP disclosed
US-5808064-A HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE MERCK & CO., INC. (US) 1998-09-15 US disclosed
WO-1998006725-A1 PALLADIUM CATALYZED INDOLIZATION MERCK & CO., INC. (US) 1998-02-19 WO 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