SCHEMBL7471633

SCHEMBL7471633

c1ccc(CN2CCC(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.76
HTR1B P28222 20/20 0.76
HTR1A P08908 1/20 0.63
HTR2A P28223 1/20 0.63

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 0.92 HTR1D (0.79) HTR1DHTR1BHTR1AHTR2A
SCHEMBL7475880 0.91 HTR1D (0.83) HTR1DHTR1B
SCHEMBL7474143 0.86 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7479541 0.85 HTR1D (0.94) HTR1DHTR1B
SCHEMBL8427610 0.85 HTR1D (0.78) HTR1DHTR1B
SCHEMBL8431783 0.85 HTR1D (0.78) HTR1DHTR1B
SCHEMBL7480569 0.85 HTR1D (0.78) HTR1DHTR1B
SCHEMBL8430069 0.85 HTR1D (0.64) HTR1DHTR1B
SCHEMBL7478570 0.85 HTR1D (0.63) HTR1DHTR1BHTR1AHTR2A
SCHEMBL7479750 0.84 HTR1D (0.81) HTR1DHTR1BHTR2A

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