SCHEMBL7474119

SCHEMBL7474119

COC(=O)N(C)CC(c1ccccc1)N1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.72
HTR1B P28222 20/20 0.72

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
SCHEMBL7477123 0.88 HTR1D (0.80) HTR1DHTR1B
SCHEMBL7478281 0.87 HTR1D (0.79) HTR1DHTR1B
SCHEMBL8660701 0.86 HTR1D (0.78) HTR1DHTR1B
SCHEMBL8662050 0.85 HTR1D (0.78) HTR1DHTR1B
SCHEMBL8662337 0.85 HTR1D (0.81) HTR1DHTR1B
SCHEMBL7478699 0.84 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7483602 0.83 HTR1D (0.87) HTR1DHTR1B
SCHEMBL8915888 0.82 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8804887 0.82 HTR1D (0.89) HTR1DHTR1B
SCHEMBL7484414 0.81 HTR1D (0.81) 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 8 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-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
WO-1998006725-A1 PALLADIUM CATALYZED INDOLIZATION MERCK & CO., INC. (US) 1998-02-19 WO 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