SCHEMBL7474598

SCHEMBL7474598

CC(Cc1ccc(F)cc1)N1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.77
HTR1B P28222 20/20 0.77
HTR2A P28223 1/20 0.66
HTR2C P28335 1/20 0.66
HTR1F P30939 1/20 0.66

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
SCHEMBL7472224 0.88 HTR1D (0.75) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL7474732 0.88 HTR1D (0.71) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL7480673 0.87 HTR1D (1.00) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL7476371 0.86 HTR1D (1.00) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL8332431 0.86 HTR1D (0.69) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL7477312 0.84 HTR1D (0.83) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL7476719 0.83 HTR1D (0.84) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL8899307 0.83 HTR1D (0.71) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL7475892 0.82 HTR1D (0.72) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL7474326 0.82 HTR1D (1.00) HTR1DHTR1BHTR2AHTR2CHTR1F

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 7 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