SCHEMBL7477312

SCHEMBL7477312

CC(CN1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccc(F)cc1

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.83
HTR1B P28222 20/20 0.83
HTR2A P28223 2/20 0.68
HTR1A P08908 1/20 0.68
HTR2C P28335 1/20 0.65
HTR1F P30939 1/20 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
SCHEMBL8334690 0.91 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8333967 0.90 HTR1D (0.68) HTR1DHTR1BHTR2AHTR1AHTR2C
SCHEMBL8427579 0.88 HTR1D (0.69) HTR1DHTR1BHTR2AHTR1A
SCHEMBL8427576 0.88 HTR1D (0.69) HTR1DHTR1BHTR2AHTR1A
SCHEMBL7476611 0.88 HTR1D (0.71) HTR1DHTR1BHTR2AHTR1AHTR2C
SCHEMBL8474241 0.86 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8471754 0.86 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8333324 0.86 HTR1D (0.63) HTR1DHTR1BHTR2AHTR1AHTR2C
SCHEMBL8338429 0.86 HTR1D (0.66) HTR1DHTR1BHTR2AHTR1AHTR2C
SCHEMBL8143246 0.85 HTR1D (0.69) HTR1DHTR1BHTR2AHTR1AHTR2C

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 5 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-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