SCHEMBL8565563

SCHEMBL8565563

CCN1CCc2ccc(-n3c(C4CCCCC4)c(CCC(=O)OC)[nH]c3=O)cc2CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
INSR P06213 4/20 0.34
ALK Q9UM73 4/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
MCHR1 Q99705 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
TMEM97 Q5BJF2 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2D6 P10635 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
SCHEMBL8564687 0.87 ESR1 (0.38) HRH3TMEM97SIGMAR1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL8564923 0.71 INSR (0.34) INSRALKDRD2DRD1HRH3
Hydrochloric Acid SCHEMBL8564921 0.70 INSR (0.34) INSRALKDRD2DRD1HRH3
SCHEMBL8562566 0.65 DRD2 (0.35) DRD2DRD1TMEM97SIGMAR1
Hydrochloric Acid SCHEMBL8561299 0.65 F2 (0.35) DRD2DRD1TMEM97SIGMAR1
SCHEMBL8562570 0.65 DRD2 (0.35) DRD2DRD1TMEM97SIGMAR1
SCHEMBL8559780 0.63 FHIT (0.36) MCHR1HRH3TMEM97SIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL8564478 0.62 FHIT (0.36) MCHR1HRH3TMEM97SIGMAR1ALDH1A1
SCHEMBL8559776 0.62 HTR6 (0.35) DRD2DRD1MCHR1TMEM97SIGMAR1
SCHEMBL8562720 0.62 S1PR1 (0.45) DRD2HRH3TMEM97SIGMAR1CYP2D6

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-5827849-A HAVING INHIBITORY EFFECT ON INFLAMMATION AND BONE DEGRADATION, ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASIS-INHIBITING EFFECT KARL THOMAE GMBH (DE) 1998-10-27 US disclosed