SCHEMBL8943799

SCHEMBL8943799

COC(=O)CCC[C@@H]1C[C@@H](C(O)c2ccc(-c3ccc(C#N)cc3)cc2)N(CCCc2ccccc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.37
DRD4 P21917 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
OPRM1 P35372 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
KDM4E B2RXH2 4/20 0.35
MAPT P10636 4/20 0.35
ABCB1 P08183 1/20 0.35
HPGD P15428 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AR P10275 1/20 0.35
EP300 Q09472 3/20 0.35
FAAH O00519 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL8943792 0.84 MCHR1 (0.38) HTR1ADRD4HTR2AHRH1OPRM1
SCHEMBL7272654 0.84 ABCB1 (0.42) HTR1ADRD4HTR2AHRH1OPRM1
SCHEMBL7273744 0.82 HTR1A (0.38) HTR1ADRD4HTR2AHRH1OPRM1
SCHEMBL7276141 0.81 ABCB1 (0.41) HTR1ADRD4HTR2AHRH1OPRM1
SCHEMBL7283846 0.78 AR (0.38) AREP300FAAH
SCHEMBL7274705 0.78 MCHR1 (0.37) HTR1ADRD4HTR2AHRH1OPRM1
SCHEMBL7275755 0.78 MMP2 (0.40) HTR1ADRD4HTR2AHRH1OPRM1
SCHEMBL8943454 0.75 ADRA1D (0.35) HTR1AOPRM1KDM4EHPGD
SCHEMBL7278829 0.75 KAT6A (0.35) HTR1ADRD4HTR2AHRH1OPRM1
SCHEMBL7274188 0.75 OGA (0.41) OPRM1FAAH

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-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed