SCHEMBL7478267

SCHEMBL7478267

OC[C@H](NC1CCN(CC(F)Cc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 1.00
HTR1B P28222 19/20 0.76
HTR1A P08908 1/20 0.76
HTR2A P28223 1/20 0.76

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
SCHEMBL8693791 1.00 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2A
SCHEMBL8404067 1.00 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2A
SCHEMBL8404064 1.00 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2A
SCHEMBL4339517 0.87 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2A
SCHEMBL8645008 0.87 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2A
SCHEMBL8474241 0.83 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8471754 0.83 HTR1D (1.00) HTR1DHTR1B
SCHEMBL4578434 0.78 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2A
SCHEMBL7481503 0.78 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2A
SCHEMBL4579728 0.78 HTR1D (1.00) 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 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-5998440-A Azetidine, pyrrolidine and piperidine derivatives MERCK SHARPE & DOHME LTD. (GB) 1999-12-07 US disclosed
EP-0925302-A1 PALLADIUM CATALYZED INDOLIZATION Merck & Co., Inc. (US) 1999-06-30 EP disclosed
WO-1998006725-A1 PALLADIUM CATALYZED INDOLIZATION MERCK & CO., INC. (US) 1998-02-19 WO disclosed