SCHEMBL8217534

SCHEMBL8217534

O=C(/C=C/c1ccc2ccccc2n1)C12CCCC3CC(CC3C1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.46
KDM4E B2RXH2 5/20 0.46
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
PFKFB3 Q16875 2/20 0.41
HCAR2 Q8TDS4 1/20 0.40

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
SCHEMBL4727011 0.84 LMNA (0.57) LMNAKDM4EMAPTSMN1; SMN2CYP1A2
SCHEMBL8207163 0.83 ALDH1A1 (0.46) LMNAKDM4EMAPTHTTALDH1A1
SCHEMBL8221266 0.81 RAB9A (0.49) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL8213285 0.74 MAPT (0.45) KDM4EMAPTCYP1A2PFKFB3POLB
SCHEMBL8215908 0.71 CNR2 (0.36) LMNAKDM4EMAPTSMN1; SMN2CYP1A2
SCHEMBL8219294 0.71 HPGDS (0.41) KDM4ESMN1; SMN2KMT2A
SCHEMBL8266779 0.70 MAOB (0.44) LMNAKDM4EMAPTSMN1; SMN2CYP1A2
SCHEMBL8214695 0.69 ALDH1A1 (0.40) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL8219508 0.69 LMNA (0.40) LMNAMAPTSMN1; SMN2HTTPOLB
SCHEMBL8268378 0.69 KDM4E (0.48) LMNAKDM4EMAPTSMN1; SMN2HTT

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