SCHEMBL7475895

SCHEMBL7475895

c1ccc(CCN2CCC(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.79
HTR1B P28222 20/20 0.79
HTR1A P08908 1/20 0.67
HTR2A P28223 1/20 0.67

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
SCHEMBL7475880 0.95 HTR1D (0.83) HTR1DHTR1B
SCHEMBL7471633 0.92 HTR1D (0.76) HTR1DHTR1BHTR1AHTR2A
SCHEMBL7479750 0.90 HTR1D (0.81) HTR1DHTR1BHTR2A
SCHEMBL7473309 0.89 HTR1D (0.72) HTR1DHTR1BHTR2A
SCHEMBL7479048 0.88 HTR1D (1.00) HTR1DHTR1BHTR2A
SCHEMBL7481234 0.88 HTR1D (0.80) HTR1DHTR1B
SCHEMBL7476231 0.88 HTR1D (0.80) HTR1DHTR1BHTR2A
SCHEMBL7474485 0.86 HTR1D (0.67) HTR1DHTR1B
Oxalic Acid SCHEMBL8662945 0.84 HTR1D (0.91) HTR1DHTR1B
SCHEMBL7478570 0.84 HTR1D (0.63) HTR1DHTR1BHTR1AHTR2A

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