SCHEMBL7474856

SCHEMBL7474856

CNS(=O)(=O)Cc1ccc2[nH]cc(CCCN3CCN(CCc4ccc(NC(C)=O)cc4)CC3)c2c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 17/20 0.68
HTR1B P28222 17/20 0.68
HTR1A P08908 2/20 0.53
HTR2A P28223 2/20 0.53
HTR5A P47898 2/20 0.52
HTR2C P28335 1/20 0.52
HTR1E P28566 1/20 0.52
HTR1F P30939 1/20 0.52
HTR7 P34969 1/20 0.52
HTR2B P41595 1/20 0.52
HTR3A P46098 1/20 0.52
SLC47A1 Q96FL8 1/20 0.52

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
SCHEMBL8701596 0.83 HTR1D (0.49) HTR1DHTR1BHTR1AHTR2AHTR5A
SCHEMBL7475077 0.81 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7477976 0.80 HTR1D (0.69) HTR1DHTR1BHTR1AHTR2AHTR5A
SCHEMBL8701597 0.80 HTR1D (0.47) HTR1DHTR1BHTR1AHTR2AHTR5A
SCHEMBL7473789 0.78 HTR1D (0.77) HTR1DHTR1B
SCHEMBL9047260 0.77 HTR1D (0.66) HTR1DHTR1BHTR1AHTR2AHTR5A
SCHEMBL8804144 0.76 HTR1D (0.76) HTR1DHTR1B
SCHEMBL4347590 0.76 HTR1D (0.71) HTR1DHTR1BHTR1AHTR2AHTR5A
SCHEMBL7485900 0.76 HTR1D (0.86) HTR1DHTR1B
SCHEMBL7485895 0.76 HTR1D (0.86) 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-0793661-A1 PIPERAZINE, PIPERIDINE & TETRAHYDROPYRIDINE DERIVATIVES USEFUL AS 5-HT1 RECEPTOR AGONISTS MERCK SHARP & DOHME LTD. (GB) 1997-09-10 EP claimed
WO-1996016056-A1 PIPERAZINE, PIPERIDINE & TETRAHYDROPYRIDINE DERIVATIVES USEFUL AS 5-HT1 RECEPTOR AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1996-05-30 WO claimed
EP-0925302-B1 PALLADIUM CATALYZED INDOLIZATION MERCK & CO INC (US) 2002-11-20 EP disclosed
US-5854247-A Piperazine, piperidine and tetrahydropyridine derivatives useful as 5-HT1 recepter agonists MERCK SHARP & DOHME LTD. (GB) 1998-12-29 US disclosed
US-5808064-A HYDROSILATION OF AN INDOLE AS CHEMICAL INTERMEDIATE MERCK & CO., INC. (US) 1998-09-15 US disclosed