SCHEMBL7479637

SCHEMBL7479637

N#Cc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)cc1

nearest known ligand 0.88

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.88
HTR1B P28222 20/20 0.88
HTR2A P28223 1/20 0.68
HTR2C P28335 1/20 0.68
HTR1F P30939 1/20 0.68

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
SCHEMBL7484372 0.94 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7474899 0.91 HTR1D (0.88) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL7478079 0.87 HTR1D (0.82) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL7480673 0.87 HTR1D (1.00) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL7479048 0.87 HTR1D (1.00) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL8924018 0.85 HTR1D (0.77) HTR1DHTR1B
SCHEMBL7481042 0.84 HTR1D (1.00) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL7474326 0.83 HTR1D (1.00) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL8984359 0.83 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8151636 0.83 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 10 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
EP-0759918-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES OF INDOL-3-YLALKYL AS 5-HT1D-ALPHA AGONISTS MERCK SHARP & DOHME LTD. (GB) 1997-03-05 EP claimed
WO-1995032196-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES OF INDOL-3-YLALKYL AS 5-HT1D-ALPHA AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-11-30 WO claimed
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
EP-0759918-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES OF INDOL-3-YLALKYL AS 5-HT1D-ALPHA AGONISTS MERCK SHARP & DOHME LTD. (GB) 1997-03-05 EP disclosed
WO-1995032196-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES OF INDOL-3-YLALKYL AS 5-HT1D-ALPHA AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-11-30 WO disclosed