SCHEMBL8340352

SCHEMBL8340352

COC(=O)C12CC3C4C5C(C1CC35C(=O)CC1c3ccccc3Sc3ccccc31)C42

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.34
GRM1 Q13255 2/20 0.34
CYP2D6 P10635 2/20 0.33
LMNA P02545 3/20 0.32
HTT P42858 3/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EGFR P00533 1/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31

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
SCHEMBL8340279 0.76
SCHEMBL8340012 0.71 NPSR1 (0.32) NPSR1ALDH1A1
SCHEMBL7709177 0.69 GRM1 (0.44) GRM5GRM1CYP2D6LMNAEGFR
SCHEMBL8337575 0.66 GRM1 (0.49) GRM5GRM1
SCHEMBL8340268 0.66
SCHEMBL8337390 0.65
SCHEMBL4664795 0.64 GRM1 (0.49) GRM5GRM1CYP2D6LMNAEGFR
SCHEMBL8340330 0.63
SCHEMBL28754501 0.63 GRM1 (0.42) GRM5GRM1CYP2D6LMNAEGFR
SCHEMBL13319990 0.60 CYP2D6 (0.46) GRM5GRM1CYP2D6LMNAALDH1A1

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-2004024709-A2 XANTHENYL CUBANE ANALOGS WITH ACTIVITY AT THE METABOTROPIC GLUTAMATE RECEPTORS PRESCIENT NEUROPHARMA INC. (CA) 2004-03-25 WO disclosed