SCHEMBL4729407

SCHEMBL4729407

COc1cc2cc(C3CC3C(=O)C34CC5CC(CC(C5)C3)C4)cnc2cc1OC

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 12/20 0.48
PDGFRA P16234 12/20 0.48
GRM1 Q13255 1/20 0.45
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
P2RX5 Q93086 1/20 0.36
P2RX4 Q99571 1/20 0.36
P2RX7 Q99572 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36

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
SCHEMBL8213684 0.87 PDGFRB (0.46) PDGFRBPDGFRAGRM1
SCHEMBL4728861 0.85 HPGDS (0.46) GRM1
SCHEMBL4729426 0.85 ALDH1A1 (0.49) PDGFRBPDGFRAGRM1MEN1KMT2A
SCHEMBL4727005 0.81 GRM1 (0.48) PDGFRBPDGFRAGRM1MEN1KMT2A
SCHEMBL4731779 0.81 GRM1 (0.51) GRM1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4728893 0.79 GRM1 (0.51) GRM1KDM4EALDH1A1HTT
Hydrochloric Acid SCHEMBL4727017 0.78 GRM1 (0.50) GRM1KDM4EALDH1A1HTT
SCHEMBL4728032 0.75 GRM1 (0.57) GRM1MEN1KMT2AALDH1A1P2RX7
SCHEMBL8215082 0.74 HPGDS (0.42)
SCHEMBL8212845 0.74 ALDH1A1 (0.42) PDGFRBPDGFRAGRM1MEN1KMT2A

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