SCHEMBL8215908

SCHEMBL8215908

COc1ncccc1/C=C/C(=O)C12CCCC3CC(CC3C1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 1/20 0.34
HTT P42858 2/20 0.34
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD11B1 P28845 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 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
SCHEMBL4729644 0.85 CNR2 (0.46) CNR2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL8216865 0.80 RAB9A (0.36) ALDH1A1MEN1KMT2ARAB9AHTT
SCHEMBL8207163 0.80 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4ERAB9A
SCHEMBL8219508 0.77 LMNA (0.40) ALDH1A1MEN1KMT2ARAB9AHTT
SCHEMBL8213285 0.76 MAPT (0.45) ALDH1A1KMT2AKDM4ERAB9AL3MBTL1
SCHEMBL8266779 0.76 MAOB (0.44) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL8214695 0.75 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL8219294 0.72 HPGDS (0.41) KMT2AKDM4ESMN1; SMN2
SCHEMBL8213322 0.72 PDGFRB (0.42) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL8217534 0.71 LMNA (0.46) ALDH1A1MEN1KMT2AKDM4ERAB9A

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