SCHEMBL6233265

SCHEMBL6233265

CC(=O)NC1(c2ccc(-c3ccccc3)cc2)CCCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TACR3 P29371 2/20 0.46
SSTR4 P31391 1/20 0.46
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
AKT1 P31749 1/20 0.43
PDE2A O00408 1/20 0.42
HDAC1 Q13547 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL13626300 0.90 POLB (0.61) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11692509 0.88 POLB (0.60) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20738594 0.86 POLB (0.61) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5987740 0.83 POLB (0.65) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2362049 0.80 TACR3 (0.44) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6560911 0.79 POLB (0.43) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8351047 0.78 POLB (0.46) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9931507 0.77 POLB (0.44) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3560390 0.75 SSTR4 (0.56) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2231946 0.75 POLB (0.57) POLBALDH1A1KDM4EHPGDHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1507763-A1 TETRAHYDROISOQUINOLINE DERIVATIVES Bayer HealthCare AG (DE) 2005-02-23 EP disclosed
WO-2003097607-A1 TETRAHYDROISOQUINOLINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-11-27 WO disclosed