SCHEMBL8645773

SCHEMBL8645773

CN(Cc1ccccc1C(F)(F)F)[C@@H]1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)C[C@@H]1F

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
SCHEMBL8645779 1.00 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8647238 1.00 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8646078 0.89 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8646075 0.89 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8647191 0.85 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8647188 0.85 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8649604 0.85 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8649596 0.82 HTR1D (0.76) HTR1DHTR1B
SCHEMBL8110242 0.77 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8647372 0.76 HTR1D (0.79) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5837715-A 3-fluoro-4-aminopiperidine derivatives as 5-HT receptor agonists MERCK SHARP & DOHME LTD. (GB) 1998-11-17 US claimed
US-5837715-A 3-fluoro-4-aminopiperidine derivatives as 5-HT receptor agonists MERCK SHARP & DOHME LTD. (GB) 1998-11-17 US disclosed