SCHEMBL6100449

SCHEMBL6100449

CC(=O)N(C)c1ccc(-c2ccc(C(=O)n3ccc4cc(F)c(N5C[C@@H](C)N[C@@H](C)C5)cc43)cc2)c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 5/20 0.39
HTR1B P28222 5/20 0.39
MLNR O43193 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
SCHEMBL6102457 0.89 HTR1D (0.38) HTR1DHTR1B
SCHEMBL6101634 0.82 HTR1D (0.57) HTR1DHTR1B
SCHEMBL6100069 0.81 HTR1D (0.44) HTR1DHTR1B
SCHEMBL6166896 0.81 HTR1D (0.44) HTR1DHTR1B
SCHEMBL6101456 0.79 HTR1D (0.41) HTR1DHTR1BMLNR
SCHEMBL6100571 0.78 GHSR (0.41) HTR1DHTR1B
SCHEMBL6098290 0.73 HTR1D (0.73) HTR1DHTR1B
SCHEMBL6099612 0.72 HTR1D (0.55) HTR1DHTR1B
SCHEMBL6102088 0.71 HTR1D (0.42) HTR1DHTR1BMLNR
SCHEMBL6101983 0.70 HTR1D (0.41) HTR1DHTR1BMLNR

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