SCHEMBL7479750

SCHEMBL7479750

Fc1cccc(CCN2CCC(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)c1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.81
HTR1B P28222 19/20 0.81
HTR2A P28223 1/20 0.81
HTR2C P28335 1/20 0.81
HTR1F P30939 1/20 0.81

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
SCHEMBL7475895 0.90 HTR1D (0.79) HTR1DHTR1BHTR2A
SCHEMBL7477108 0.89 HTR1D (1.00) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL7476231 0.89 HTR1D (0.80) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL7481234 0.86 HTR1D (0.80) HTR1DHTR1B
SCHEMBL7475880 0.86 HTR1D (0.83) HTR1DHTR1B
SCHEMBL7473309 0.85 HTR1D (0.72) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL7471633 0.84 HTR1D (0.76) HTR1DHTR1BHTR2A
SCHEMBL8428620 0.84 HTR1D (0.70) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL8693127 0.83 HTR1D (0.62) HTR1DHTR1BHTR2AHTR2CHTR1F
SCHEMBL7474485 0.82 HTR1D (0.67) 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 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-0861245-A1 PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1998-09-02 EP claimed
WO-1997019073-A1 PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-29 WO claimed
EP-0925302-B1 PALLADIUM CATALYZED INDOLIZATION MERCK & CO INC (US) 2002-11-20 EP disclosed
US-5973156-A Piperidine and tetrahydropyridine derivatives MERCK SHARP & DOME LTD. (GB) 1999-10-26 US disclosed
US-5808064-A HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE MERCK & CO., INC. (US) 1998-09-15 US disclosed