SCHEMBL7864871

SCHEMBL7864871

COc1ccc2[nH]c(C)c(CCC(N)CCN)c2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 4/20 0.74
HTR6 P50406 4/20 0.74
HTR7 P34969 3/20 0.60
HTR1A P08908 2/20 0.60
SLC6A2 P23975 1/20 0.60
HTR1E P28566 1/20 0.60
HTR5A P47898 1/20 0.60
AKR1C2 P52895 1/20 0.56
MTNR1A P48039 2/20 0.54
MTNR1B P49286 2/20 0.54
MAPT P10636 7/20 0.52
ALDH1A1 P00352 6/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
KDM4E B2RXH2 3/20 0.52
MCL1 Q07820 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
TRPM8 Q7Z2W7 2/20 0.51
TDP1 Q9NUW8 2/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL4244966 0.85 HTR1D (1.00) HTR1DHTR6HTR7HTR1ASLC6A2
Hydrochloric Acid SCHEMBL7433474 0.84 HTR1D (0.97) HTR1DHTR6HTR7HTR1ASLC6A2
SCHEMBL7806663 0.82 HTR1D (0.82) HTR1DHTR6HTR7HTR1ASLC6A2
Cyanide SCHEMBL28561862 0.82 HTR1D (0.92) HTR1DHTR6HTR7HTR1ASLC6A2
SCHEMBL8555235 0.78 HTR1D (0.76) HTR1DHTR6HTR7HTR1ASLC6A2
SCHEMBL4231080 0.77 HTR1D (0.74) HTR1DHTR6HTR7HTR1ASLC6A2
SCHEMBL23226374 0.76 AKR1C2 (0.61) HTR1DHTR6HTR7HTR1ASLC6A2
SCHEMBL11374190 0.75 ALDH1A1 (0.78) HTR1DHTR6HTR7HTR1ASLC6A2
SCHEMBL5766124 0.75 HTR6 (1.00) HTR1DHTR6HTR7HTR1ASLC6A2
SCHEMBL29633021 0.75 HTR6 (1.00) HTR1DHTR6HTR7HTR1ASLC6A2

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
WO-2001055107-A2 AROMATIC AMINES AND AMIDES ACTING ON THE MELANOCORTIN RECEPTORS MELACURE THERAPEUTICS AB (SE) 2001-08-02 WO claimed