SCHEMBL7479900

SCHEMBL7479900

COCC(CN1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.77
HTR1B P28222 20/20 0.77

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
SCHEMBL8333143 0.91 HTR1D (0.67) HTR1DHTR1B
SCHEMBL7475617 0.89 HTR1D (0.81) HTR1DHTR1B
SCHEMBL8334690 0.87 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8915888 0.83 HTR1D (1.00) HTR1DHTR1B
SCHEMBL4343908 0.83 HTR1D (1.00) HTR1DHTR1B
SCHEMBL4578853 0.83 HTR1D (0.84) HTR1DHTR1B
SCHEMBL8649989 0.83 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7484414 0.82 HTR1D (0.81) HTR1DHTR1B
SCHEMBL8693523 0.81 HTR1D (0.56) HTR1DHTR1B
SCHEMBL8662337 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 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-0854714-A1 SUBSTITUTED INDOLYLPROPYL-PIPERAZINE DERIVATIVES AS 5-HT 1DALPHA? AGONISTS MERCK SHARP & DOHME LTD. (GB) 1998-07-29 EP claimed
WO-1997011695-A1 SUBSTITUTED INDOLYLPROPYL-PIPERAZINE DERIVATIVES AS 5-HT1DALPHA AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1997-04-03 WO claimed
EP-0925302-B1 PALLADIUM CATALYZED INDOLIZATION MERCK & CO INC (US) 2002-11-20 EP disclosed
US-5981529-A Substituted indolylpropyl-piperazine derivatives as 5-HT1D α agonists MERCK SHARP & DOHME LIMITED (GB) 1999-11-09 US disclosed
US-5808064-A HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE MERCK & CO., INC. (US) 1998-09-15 US disclosed
EP-0854714-A1 SUBSTITUTED INDOLYLPROPYL-PIPERAZINE DERIVATIVES AS 5-HT 1DALPHA? AGONISTS MERCK SHARP & DOHME LTD. (GB) 1998-07-29 EP disclosed
WO-1997011695-A1 SUBSTITUTED INDOLYLPROPYL-PIPERAZINE DERIVATIVES AS 5-HT1DALPHA AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1997-04-03 WO disclosed