SCHEMBL4727005

SCHEMBL4727005

O=C(C1CC1c1cnc2cc3c(cc2c1)OCO3)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.48
LMNA P02545 3/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 2/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
ALDH1A1 P00352 4/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL4731779 0.93 GRM1 (0.51) GRM1LMNATP53POLBHPGD
SCHEMBL4729407 0.81 PDGFRB (0.48) GRM1KMT2AMEN1HTTPDGFRB
SCHEMBL8211978 0.81 GRM1 (0.40) GRM1KDM4E
SCHEMBL4728893 0.80 GRM1 (0.51) GRM1LMNAPOLBRAB9AHTT
Hydrochloric Acid SCHEMBL4727017 0.79 GRM1 (0.50) GRM1LMNAPOLBRAB9AHTT
SCHEMBL4728861 0.77 HPGDS (0.46) GRM1
SCHEMBL4729426 0.77 ALDH1A1 (0.49) GRM1HPGDKMT2AMEN1RAB9A
SCHEMBL4730340 0.73 HPGD (0.41) LMNATP53POLBHPGDKMT2A
SCHEMBL8219546 0.72 GRM1 (0.38) GRM1
SCHEMBL4730336 0.68 ALDH1A1 (0.36) LMNATP53POLBHPGDKMT2A

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-2008035049-A1 ADAMANTANYL-(CYCLOPROPYL)-KETONES AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2008-03-27 WO disclosed