SCHEMBL6941552

SCHEMBL6941552

CCc1nncn1-c1ccc2[nH]cc(CCCCN(C)C)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 6/20 0.59
HTR1B P28222 5/20 0.59
HTR1A P08908 7/20 0.53
HTR2C P28335 4/20 0.53
GABRP O00591 1/20 0.50
GABRD O14764 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50
GABRB2 P47870 1/20 0.50
GABRA4 P48169 1/20 0.50
GABRE P78334 1/20 0.50
GABRA6 Q16445 1/20 0.50
GABRG1 Q8N1C3 1/20 0.50
GABRG3 Q99928 1/20 0.50
GABRQ Q9UN88 1/20 0.50

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
SCHEMBL6943364 0.75 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2CGABRP
SCHEMBL6945655 0.73 HTR1A (0.60) HTR1DHTR1BHTR1AHTR2CSLC6A4
SCHEMBL6945199 0.72 HTR1D (0.72) HTR1DHTR1BMPO
SCHEMBL6945185 0.72 HTR1D (0.64) HTR1DHTR1BHTR1AHTR2CGABRP
SCHEMBL27392904 0.71 HTR1A (0.67) HTR1DHTR1BHTR1AHTR2CSLC6A4
SCHEMBL6944315 0.71 SLC6A4 (0.49) HTR1DHTR1BHTR1AHTR2CSLC6A4
SCHEMBL7480405 0.70 HTR2C (0.50) HTR1DHTR1BHTR1AHTR2CGABRP
SCHEMBL6936730 0.69 HTR1D (0.79) HTR1DHTR1BHTR1AMPO
SCHEMBL6939216 0.69 HTR1A (0.65) HTR1DHTR1BHTR1AHTR2CSLC6A4
SCHEMBL8781600 0.68 HTR1D (0.74) 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 18 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
CN-1322725-A Indole derivant MERCK & CO INC (US) 2001-11-21 CN claimed
CN-1228094-A Palladium catalyzed indolization MERCK & CO INC (US) 1999-09-08 CN claimed
US-5808064-A HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE MERCK & CO., INC. (US) 1998-09-15 US claimed
CN-1152920-A Palladium-Catalyzed Ring Closure of Triazolyl Tryptamine MERCK & CO INC (US) 1997-06-25 CN 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
CN-1157390-C Indole derivant 2004-07-14 CN disclosed
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
CN-1084751-C Palladium catalyzed indolization MERCK & CO INC (US) 2002-05-15 CN disclosed
CN-1077104-C Palladium-Catalyzed Ring Closure of Triazolyl Tryptamine MERCK & CO INC (US) 2002-01-02 CN disclosed
CN-1322725-A Indole derivant MERCK & CO INC (US) 2001-11-21 CN disclosed
CN-1228094-A Palladium catalyzed indolization MERCK & CO INC (US) 1999-09-08 CN 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
CN-1152920-A Palladium-Catalyzed Ring Closure of Triazolyl Tryptamine MERCK & CO INC (US) 1997-06-25 CN 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