SCHEMBL8316680

SCHEMBL8316680

Nc1ccc(N)c(OCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.55
MAPT P10636 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
GAA P10253 1/20 0.55
MAOA P21397 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
IDO1 P14902 1/20 0.50
LTA4H P09960 1/20 0.48
MAPK14 Q16539 1/20 0.48
AGXT P21549 1/20 0.48
TSHR P16473 2/20 0.48
POLB P06746 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 1/20 0.47
SLC6A3 Q01959 1/20 0.47

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
SCHEMBL19828694 0.83 PTPN1 (0.56) MAOBMAPTL3MBTL1GAAMAOA
SCHEMBL29097577 0.83 RAB9A (0.49) MAOBMAPTL3MBTL1GAAMAOA
SCHEMBL15968872 0.82 KDM1A (0.48) MAOBMAPTL3MBTL1GAAMAOA
SCHEMBL24819317 0.82 MAPT (0.61) MAOBMAPTL3MBTL1GAAMAOA
SCHEMBL3407002 0.81 KDM1A (0.57) MAOBMAPTL3MBTL1GAAMAOA
SCHEMBL6080995 0.81 MAOB (0.46) MAOBMAPTL3MBTL1GAAMAOA
SCHEMBL3785631 0.81 L3MBTL1 (0.46) MAOBMAPTL3MBTL1GAAMAOA
SCHEMBL21050869 0.80 TSHR (0.45) MAOBMAPTL3MBTL1GAAMAOA
SCHEMBL17597659 0.79 L3MBTL1 (0.44) MAOBMAPTL3MBTL1GAAMAOA
SCHEMBL11521229 0.79 PTPN1 (0.52) MAOBMAPTL3MBTL1GAAMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0484881-B1 Heteroaroyl derivatives of monocyclic beta-lactam antibiotics SQUIBB & SONS INC (US) 1999-04-07 EP disclosed
US-5705645-A Hereroaryl derivatives of monocyclic beta-lactam antibiotics E. R. SQUIBB & SONS, INC. (US) 1998-01-06 US disclosed
US-5420277-A BACTERICIDE INTERMEDIATES E. R. SQUIBB & SONS, INC. (US) 1995-05-30 US disclosed
US-5290929-A Heteroaryl derivatives of monocyclic beta-lactam antibiotics E. R. SQUIBB & SONS, INC. (US) 1994-03-01 US disclosed
EP-0484881-A2 Heteroaroyl derivatives of monocyclic beta-lactam antibiotics E.R. SQUIBB & SONS, INC. (US) 1992-05-13 EP disclosed