SCHEMBL8943454

SCHEMBL8943454

COC(=O)C[C@@H]1C[C@@H](C(O)c2ccc(-c3ccc(C(N)=O)c(Cl)c3)cc2)N(CCCc2ccccc2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.35
ADRB1 P08588 4/20 0.34
ADRB3 P13945 3/20 0.34
CYP2D6 P10635 2/20 0.34
ADRB2 P07550 2/20 0.34
ADRA2A P08913 2/20 0.34
ADRA1A P35348 2/20 0.34
ADRA1B P35368 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
HTR2B P41595 1/20 0.34
SLC6A3 Q01959 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
SCHEMBL7284266 0.84 ALDH1A1 (0.36) ADRA1DALDH1A1LMNAOPRM1PDE4A
SCHEMBL7284122 0.78 ALDH1A1 (0.36) ADRA1DALDH1A1LMNAOPRM1DRD3
SCHEMBL7282109 0.78 ITGB3 (0.38)
SCHEMBL7273744 0.76 HTR1A (0.38) HPGDHTR1AOPRM1
SCHEMBL8943799 0.75 HTR1A (0.37) KDM4EHPGDHTR1AOPRM1
SCHEMBL7275591 0.74 DRD2 (0.38) PTGER4PDE4APDE4BPDE4CPDE4D
SCHEMBL7274559 0.72 OPRM1 (0.39) OPRM1SIGMAR1
SCHEMBL7283846 0.72 AR (0.38)
SCHEMBL7278829 0.72 KAT6A (0.35) HPGDHTR1AOPRM1
SCHEMBL7273363 0.72 MMP12 (0.37) PTGER4

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