SCHEMBL8213285

SCHEMBL8213285

O=C(/C=C/c1cccnc1)C12CCCC3CC(CC3C1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
JUN P05412 1/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
PFKFB3 Q16875 1/20 0.41
KMT2A Q03164 1/20 0.39
P2RX7 Q99572 1/20 0.39
CYP17A1 P05093 2/20 0.38
CYP19A1 P11511 2/20 0.38
HSD11B1 P28845 2/20 0.38
ALDH1A1 P00352 1/20 0.38
APAF1 O14727 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A1 P04798 1/20 0.38

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
SCHEMBL8077622 0.84 MAPT (0.56) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL1769996 0.84 MAPT (0.56) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL8207163 0.80 ALDH1A1 (0.46) MAPTRAB9AKDM4ENPC1KMT2A
SCHEMBL8219508 0.79 LMNA (0.40) MAPTRAB9ANPC1KMT2AHSD11B1
SCHEMBL8221266 0.79 RAB9A (0.49) MAPTRAB9AKDM4ENPC1KMT2A
SCHEMBL8216865 0.79 RAB9A (0.36) MAPTRAB9ANPC1KMT2ACYP17A1
SCHEMBL8266779 0.78 MAOB (0.44) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL8215908 0.76 CNR2 (0.36) MAPTRAB9AKDM4EKMT2AHSD11B1
SCHEMBL8211974 0.76 GRM1 (0.47) MAPTKDM4EKMT2AHSD11B1ALDH1A1
SCHEMBL8268378 0.74 KDM4E (0.48) MAPTRAB9AKDM4ENPC1MAPK1

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