SCHEMBL8779005

SCHEMBL8779005

C=C1c2cc(N)ccc2CCC12CCCC2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CA9 Q16790 2/20 0.33
MITF O75030 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TYMS P04818 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL8779056 0.80 F7 (0.39)
SCHEMBL8779123 0.80 TDP2 (0.36) TYMS
SCHEMBL8779088 0.80 PARP1 (0.39) TYMS
SCHEMBL8778992 0.80 TDP1 (0.39) TDP1TYMSL3MBTL1
SCHEMBL8778995 0.80 SIGMAR1 (0.43) MAPTALDH1A1MEN1GAAKMT2A
SCHEMBL8778942 0.76 METAP1 (0.44) MAPTKDM4EALDH1A1
SCHEMBL8778991 0.75 SIGMAR1 (0.44) MAPTKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL8778969 0.72 KDM1A (0.34)
SCHEMBL20423549 0.72 SIGMAR1 (0.44) KDM4EALDH1A1GAALMNAHPGD
SCHEMBL8779058 0.70 METAP1 (0.40)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0606661-B1 Octahydrophenanthrene derivatives and their use as NMDA-Antagonists HOFFMANN LA ROCHE (CH) 1997-03-12 EP disclosed
US-5385947-A For prevention of nerve damage due to reduction of blood or oxygen supplies HOFFMANN-LA ROCHE INC. (US) 1995-01-31 US disclosed
EP-0606661-A1 Octahydrophenanthrene derivatives and their use as NMDA-Antagonists F. HOFFMANN-LA ROCHE AG (CH) 1994-07-20 EP disclosed