SCHEMBL7476512

SCHEMBL7476512

CN(Cc1ccsc1)C1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 1.00
HTR1B P28222 19/20 1.00

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
SCHEMBL7479931 0.85 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7480186 0.85 HTR1D (1.00) HTR1DHTR1B
SCHEMBL4342340 0.82 HTR1D (1.00) HTR1DHTR1B
SCHEMBL4579705 0.81 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8101825 0.79 HTR1D (0.80) HTR1DHTR1B
SCHEMBL8662011 0.79 HTR1D (0.82) HTR1DHTR1B
SCHEMBL8984359 0.79 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8657524 0.78 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8659040 0.77 HTR1D (0.76) HTR1DHTR1B
SCHEMBL7476140 0.77 HTR1D (0.85) 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 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
EP-0925302-B1 PALLADIUM CATALYZED INDOLIZATION MERCK & CO INC (US) 2002-11-20 EP disclosed
US-5854268-A Azetidine, pyrrolidine and piperidine derivatives MERCK SHARP & DOHME, LTD. (GB) 1998-12-29 US disclosed
EP-0804434-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1997-11-05 EP disclosed
WO-1996004274-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1996-02-15 WO disclosed