SCHEMBL8912397

SCHEMBL8912397

c1cnc2ccc3c(c2c1)CC1(CO3)C2CC3CC(C2)CC1C3

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
HTT P42858 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP3A4 P08684 1/20 0.32
HTR1A P08908 2/20 0.32
NCOA1 Q15788 1/20 0.30

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
SCHEMBL8912372 0.75 MEN1 (0.30) MAPTMEN1HTTKMT2ACYP3A4
SCHEMBL4541683 0.67 KDM4E (0.41) MAPTKDM4EHTR1A
SCHEMBL5583735 0.65 MAPT (0.43) MAPTKDM4ELMNAMEN1HSP90AA1
SCHEMBL5583686 0.65 MAPT (0.43) MAPTKDM4ELMNAMEN1HSP90AA1
SCHEMBL5584234 0.65 MAPT (0.43) MAPTKDM4ELMNAMEN1HSP90AA1
Hydrochloric Acid SCHEMBL5586785 0.64 HTR1A (0.42) MAPTKDM4ELMNAMEN1HSP90AA1
SCHEMBL20319912 0.64 P2RX7 (0.35) P2RX7MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL22744240 0.62 MAPT (0.43) MAPTKDM4ESMN1; SMN2LMNAMEN1
SCHEMBL13093965 0.61 KDM4E (0.45) P2RX7MAPTKDM4ELMNAMEN1
SCHEMBL14439255 0.60 HTR1A (0.39) MAPTKDM4ELMNAMEN1HSP90AA1

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
US-5608065-A ADAMANTANEOSPIRO-HETEROAROMATIC PYRANS OPTISCHE WERKE G. RODENSTOCK (DE) 1997-03-04 US claimed