SCHEMBL6101079

SCHEMBL6101079

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

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 18/20 0.72
HTR1D P28221 17/20 0.72
HTR1A P08908 5/20 0.52
GHSR Q92847 1/20 0.49
MAPT P10636 1/20 0.46

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
SCHEMBL6100482 0.91 HTR1D (0.78) HTR1BHTR1DHTR1AMAPT
SCHEMBL6100063 0.87 HTR1B (0.75) HTR1BHTR1DHTR1AGHSR
SCHEMBL6099855 0.82 HTR1D (0.64) HTR1BHTR1DHTR1AMAPT
SCHEMBL6603527 0.81 HTR1D (1.00) HTR1BHTR1DHTR1AMAPT
SCHEMBL6603530 0.81 HTR1D (1.00) HTR1BHTR1DHTR1AMAPT
SCHEMBL6101604 0.80 HTR1D (0.61) HTR1BHTR1DHTR1AMAPT
SCHEMBL6101776 0.80 HTR1D (0.61) HTR1BHTR1DHTR1A
SCHEMBL6101995 0.78 HTR1D (0.84) HTR1BHTR1DHTR1AGHSR
SCHEMBL5421644 0.74 HTR1D (0.49) HTR1BHTR1DMAPT
SCHEMBL6100097 0.74 HTR1D (0.76) HTR1BHTR1DHTR1AGHSR

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