SCHEMBL6100482

SCHEMBL6100482

COc1cc2c(cc1N1C[C@@H](C)N[C@@H](C)C1)N(C(=O)c1ccc(-c3ccc(CNC(C)=O)cc3C)cc1)CC2

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 10/20 0.78
HTR1B P28222 10/20 0.78
HTR1A P08908 1/20 0.52
MAPT P10636 1/20 0.46
HTR2A P28223 1/20 0.45
LMNA P02545 3/20 0.44
TP53 P04637 3/20 0.44
POLB P06746 1/20 0.44
THRB P10828 2/20 0.43

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
SCHEMBL6099855 0.92 HTR1D (0.64) HTR1DHTR1BHTR1AMAPTLMNA
SCHEMBL6101079 0.91 HTR1B (0.72) HTR1DHTR1BHTR1AMAPT
SCHEMBL6101604 0.89 HTR1D (0.61) HTR1DHTR1BHTR1AMAPTLMNA
SCHEMBL6101776 0.89 HTR1D (0.61) HTR1DHTR1BHTR1ALMNATP53
SCHEMBL6101995 0.87 HTR1D (0.84) HTR1DHTR1BHTR1AHTR2A
SCHEMBL6100097 0.83 HTR1D (0.76) HTR1DHTR1BHTR1AHTR2A
SCHEMBL6168850 0.81 HTR1D (0.71) HTR1DHTR1BHTR1AHTR2A
SCHEMBL6102593 0.81 HTR1D (0.71) HTR1DHTR1BHTR1AHTR2A
SCHEMBL6604795 0.81 HTR1D (0.77) HTR1DHTR1BHTR1AMAPTHTR2A
SCHEMBL6603417 0.81 HTR1D (1.00) HTR1DHTR1BHTR1AMAPTHTR2A

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