SCHEMBL6101604

SCHEMBL6101604

CC(=O)NCc1ccc(-c2ccc(C(=O)N3CCc4cc(Cl)c(N5C[C@@H](C)N[C@@H](C)C5)cc43)cc2)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 8/20 0.61
HTR1B P28222 8/20 0.61
TP53 P04637 4/20 0.44
MAPT P10636 3/20 0.42
THRB P10828 2/20 0.41
LMNA P02545 5/20 0.41
POLB P06746 1/20 0.41
HTR1A P08908 1/20 0.40

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 0.93 HTR1D (0.64) HTR1DHTR1BTP53MAPTTHRB
SCHEMBL6101776 0.91 HTR1D (0.61) HTR1DHTR1BTP53THRBLMNA
SCHEMBL6100482 0.89 HTR1D (0.78) HTR1DHTR1BTP53MAPTTHRB
SCHEMBL6101983 0.81 HTR1D (0.41) HTR1DHTR1BMAPT
SCHEMBL6101079 0.80 HTR1B (0.72) HTR1DHTR1BMAPTHTR1A
SCHEMBL5421774 0.78 HTR1D (0.57) HTR1DHTR1BTP53MAPTTHRB
SCHEMBL6102410 0.77 HTR1D (0.66) HTR1DHTR1BTP53MAPTLMNA
SCHEMBL6101995 0.76 HTR1D (0.84) HTR1DHTR1BHTR1A
SCHEMBL6102088 0.76 HTR1D (0.42) HTR1DHTR1BMAPT
SCHEMBL6101456 0.74 HTR1D (0.41) 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 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