SCHEMBL7477976

SCHEMBL7477976

CC(=O)Nc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(Cn5cncn5)cc34)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 17/20 0.69
HTR1B P28222 17/20 0.69
HTR1A P08908 1/20 0.54
ADRA2C P18825 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HRH1 P35367 1/20 0.54
HTR2B P41595 1/20 0.54
HTR5A P47898 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
SCHEMBL7473789 0.87 HTR1D (0.77) HTR1DHTR1B
SCHEMBL8659434 0.84 HTR1D (0.49) HTR1DHTR1BHTR1AADRA2CHTR2A
SCHEMBL8805866 0.83 HTR1D (0.63) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL8414642 0.82 HTR1D (0.67) HTR1DHTR1BHTR1AADRA2CHTR2A
SCHEMBL7475077 0.82 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8659438 0.81 HTR1D (0.49) HTR1DHTR1BHTR1AADRA2CHTR2A
SCHEMBL7482425 0.80 HTR1D (0.68) HTR1DHTR1BHTR1AADRA2CHTR2A
SCHEMBL7474856 0.80 HTR1D (0.68) HTR1DHTR1BHTR1AHTR2AHTR2C
SCHEMBL8413856 0.80 HTR1D (0.66) HTR1DHTR1BHTR1AADRA2CHTR2A
SCHEMBL9077110 0.79 HTR1D (0.67) HTR1DHTR1BHTR1AADRA2CHTR2A

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
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
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
US-5807857-A Piperazine, piperidine and tetrahydropyridine derivative of indol-3-alkyl as 5-HT1D-α agonists MERCK SHARP & DOHME LTD. (GB) 1998-09-15 US disclosed
WO-1998006725-A1 PALLADIUM CATALYZED INDOLIZATION MERCK & CO., INC. (US) 1998-02-19 WO disclosed