SCHEMBL8138558

SCHEMBL8138558

Cc1cccc(-c2cccc3c(NC(=O)N4CCc5cc(Cl)c(N6CCN(C)CC6)cc54)cccc23)n1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 9/20 0.65
HTR1B P28222 9/20 0.65
HTR1A P08908 8/20 0.65
SLC2A1 P11166 2/20 0.50
HTR2B P41595 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
NFKB1 P19838 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
HTR2C P28335 5/20 0.46
HTR2A P28223 4/20 0.42
USP2 O75604 1/20 0.42
PTPN11 Q06124 2/20 0.41

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
SCHEMBL8155545 0.89 HTR1D (0.71) HTR1DHTR1BHTR1ASLC2A1HTR2B
SCHEMBL8129707 0.88 HTR1D (0.72) HTR1DHTR1BHTR1AHTR2BCYP1A2
SCHEMBL8143058 0.84 HTR1D (0.90) HTR1DHTR1BHTR1ASLC2A1HTR2B
SCHEMBL8132302 0.84 HTR1D (0.62) HTR1DHTR1BHTR1ASLC2A1HTR2B
SCHEMBL8156189 0.84 HTR1D (0.62) HTR1DHTR1BHTR1ASLC2A1HTR2B
SCHEMBL8128493 0.83 HTR1D (0.74) HTR1DHTR1BHTR1ASLC2A1HTR2B
SCHEMBL8128015 0.80 HTR1D (0.63) HTR1DHTR1BHTR1ASLC2A1HTR2B
SCHEMBL27542467 0.79 HTR1D (0.63) HTR1DHTR1BHTR1ASLC2A1HTR2B
SCHEMBL8121210 0.79 HTR1A (1.00) HTR1DHTR1BHTR1ASLC2A1HTR2B
SCHEMBL8492299 0.79 HTR1D (0.59) HTR1DHTR1BHTR1ASLC2A1HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975593-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-02-02 EP disclosed
WO-1998050358-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed