SCHEMBL7478221

SCHEMBL7478221

O=C1NCCN(CC2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)C1c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.65
HTR1B P28222 20/20 0.65

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
SCHEMBL8696714 0.83 HTR1D (0.47) HTR1DHTR1B
SCHEMBL7475880 0.78 HTR1D (0.83) HTR1DHTR1B
SCHEMBL4340068 0.78 HTR1D (1.00) HTR1DHTR1B
Oxalic Acid SCHEMBL8662945 0.78 HTR1D (0.91) HTR1DHTR1B
SCHEMBL8177129 0.77 HTR1D (0.78) HTR1DHTR1B
SCHEMBL8662011 0.76 HTR1D (0.82) HTR1DHTR1B
SCHEMBL4352154 0.76 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8657524 0.75 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7475895 0.75 HTR1D (0.79) HTR1DHTR1B
SCHEMBL4340558 0.75 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 6 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-0925302-B1 PALLADIUM CATALYZED INDOLIZATION MERCK & CO INC (US) 2002-11-20 EP disclosed
US-6051572-A Azetidine, pyrrolidine and piperidine derivatives MERCK SHARP & DOHME LTD. (GB) 2000-04-18 US disclosed
US-5808064-A HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE MERCK & CO., INC. (US) 1998-09-15 US disclosed
WO-1997016445-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-09 WO disclosed