SCHEMBL3973411

SCHEMBL3973411

COc1cc2c(c(Br)c1OC)CN(CCc1ccccc1)C2=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.45
MAPT P10636 1/20 0.43
PARK7 Q99497 2/20 0.42
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.41
OPRK1 P41145 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
KCNH2 Q12809 1/20 0.38
ACHE P22303 1/20 0.38
EBP Q15125 1/20 0.38
SIGMAR1 Q99720 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
SCHEMBL3975612 0.88 MAPT (0.43) MAPTALDH1A1
SCHEMBL3973494 0.82 IDH1 (0.39) CNR2ALDH1A1HSD17B10
SCHEMBL23460345 0.80 CNR2 (0.47) CNR2MAPTPARK7ALDH1A1HSD17B10
SCHEMBL3972272 0.80 CA1 (0.38) ALDH1A1ACHE
SCHEMBL3973824 0.80 HTR2A (0.36) CNR2ALDH1A1
SCHEMBL29427918 0.79 CNR2 (0.49) CNR2PARK7OPRK1KCNH2ACHE
SCHEMBL25330974 0.79 CNR2 (0.49) CNR2PARK7OPRK1KCNH2ACHE
SCHEMBL3973213 0.79 HTR2A (0.42) KCNH2
SCHEMBL24306468 0.78 CNR2 (0.48) CNR2PARK7ALDH1A1HSD17B10
SCHEMBL24305790 0.78 CNR2 (0.43) CNR2MAPTPARK7ALDH1A1HSD17B10

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-2009051417-A2 PHENANTHRENE LACTAM DERIVATIVES HAVING ANTICANCER ACTIVITY AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-04-23 WO disclosed