SCHEMBL8650658

SCHEMBL8650658

C[C@@H](N[C@H]1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)C[C@@H]1F)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.78
HTR1B P28222 19/20 0.78

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
SCHEMBL8650661 1.00 HTR1D (0.78) HTR1DHTR1B
SCHEMBL7477126 0.88 HTR1D (1.00) HTR1DHTR1B
SCHEMBL4352268 0.88 HTR1D (1.00) HTR1DHTR1B
SCHEMBL4340558 0.88 HTR1D (1.00) HTR1DHTR1B
SCHEMBL4578276 0.85 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7474266 0.85 HTR1D (1.00) HTR1DHTR1B
SCHEMBL4355208 0.85 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8647372 0.85 HTR1D (0.79) HTR1DHTR1B
SCHEMBL8647369 0.85 HTR1D (0.79) HTR1DHTR1B
SCHEMBL8649602 0.84 HTR1D (0.73) 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