SCHEMBL7477126

SCHEMBL7477126

CC(NC1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccccc1

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 20/20 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
SCHEMBL4352268 1.00 HTR1D (1.00) HTR1DHTR1B
SCHEMBL4340558 1.00 HTR1D (1.00) HTR1DHTR1B
SCHEMBL4579876 0.92 HTR1D (1.00) HTR1DHTR1B
SCHEMBL4579883 0.92 HTR1D (1.00) HTR1DHTR1B
SCHEMBL4579880 0.92 HTR1D (1.00) HTR1DHTR1B
SCHEMBL4344021 0.91 HTR1D (1.00) HTR1DHTR1B
SCHEMBL4577573 0.91 HTR1D (1.00) HTR1DHTR1B
SCHEMBL4355208 0.91 HTR1D (1.00) HTR1DHTR1B
SCHEMBL4578276 0.91 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7474266 0.91 HTR1D (1.00) 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 4 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-5854268-A Azetidine, pyrrolidine and piperidine derivatives MERCK SHARP & DOHME, LTD. (GB) 1998-12-29 US 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