SCHEMBL8916532

SCHEMBL8916532

N=C(NC12CC3CC(CC(C3)C1)C2)N(c1ccc2c3c(cccc13)C=C2)C1C2CC3CC(C2)CC1C3

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 16/20 0.35
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CNR2 P34972 1/20 0.32
FAAH O00519 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
SCHEMBL6156344 0.81
SCHEMBL6154894 0.74 EPHX2 (0.38) EPHX2MAPK1HPGDCNR2FAAH
SCHEMBL6154718 0.68 EPHX2 (0.41) EPHX2MAPK1LMNAALDH1A1MAPT
SCHEMBL6155273 0.67 EPHX2 (0.38) EPHX2MAPK1LMNAALDH1A1MAPT
SCHEMBL6157063 0.67 EPHX2 (0.38) EPHX2MAPK1LMNAALDH1A1FAAH
SCHEMBL8428530 0.66
SCHEMBL6154614 0.65 EPHX2 (0.38) EPHX2
SCHEMBL6156235 0.65 EPHX2 (0.42) EPHX2LMNAALDH1A1MAPTHPGD
SCHEMBL8400958 0.65
SCHEMBL6156328 0.64 L3MBTL1 (0.42) EPHX2MAPK1LMNAALDH1A1MAPT

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-5622968-A ADMINISTERING TO BLOCK VOLTAGE SENSITIVE CALCIUM CHANNELS OF MAMMALIAN NEURONAL CELLS CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-04-22 US disclosed