SCHEMBL6102457

SCHEMBL6102457

Cc1nc(N(C)S(C)(=O)=O)ccc1-c1ccc(C(=O)n2ccc3cc(F)c(N4C[C@@H](C)N[C@@H](C)C4)cc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 5/20 0.38
HTR1B P28222 5/20 0.38
FFAR2 O15552 1/20 0.33
GHSR Q92847 2/20 0.31
TTR P02766 1/20 0.31

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
SCHEMBL6100449 0.89 HTR1D (0.39) HTR1DHTR1B
SCHEMBL6099612 0.83 HTR1D (0.55) HTR1DHTR1BFFAR2GHSR
SCHEMBL6100571 0.81 GHSR (0.41) HTR1DHTR1BGHSR
SCHEMBL6100069 0.78 HTR1D (0.44) HTR1DHTR1BGHSR
SCHEMBL6166896 0.78 HTR1D (0.44) HTR1DHTR1BGHSR
SCHEMBL6101456 0.76 HTR1D (0.41) HTR1DHTR1B
SCHEMBL6099761 0.74 HTR1D (0.68) HTR1DHTR1BGHSR
SCHEMBL6101634 0.72 HTR1D (0.57) HTR1DHTR1B
SCHEMBL6102080 0.70 HTR1D (0.59) HTR1DHTR1BFFAR2GHSR
SCHEMBL6102088 0.69 HTR1D (0.42) HTR1DHTR1BGHSR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109201-B2 Piperazine derivatives, their preparation and uses in therapy SMITHKLINE BEECHAM PLC (GB) 2006-09-19 US claimed