SCHEMBL6607526

SCHEMBL6607526

Nc1c2c(nc3ccc(Cl)cc13)CCNC2

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.67
ACHE P22303 17/20 0.65
BCHE P06276 12/20 0.65
GRIN1 Q05586 6/20 0.65
GRIN2A Q12879 6/20 0.65
CHRM1 P11229 1/20 0.50
EPHX2 P34913 1/20 0.50
SLC2A1 P11166 1/20 0.49
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46
CASP6 P55212 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL6610603 0.84 ACHE (0.66) MAPTACHEBCHEGRIN1GRIN2A
SCHEMBL6608783 0.81 ACHE (0.68) ACHEBCHEGRIN1GRIN2ACHRM1
SCHEMBL6611810 0.81 MAPT (0.97) MAPTACHEBCHEGRIN1GRIN2A
SCHEMBL6609348 0.81 MAPT (0.61) MAPTACHEBCHEGRIN1GRIN2A
SCHEMBL6610838 0.81 ACHE (0.62) MAPTACHEBCHEGRIN1GRIN2A
Hydrochloric Acid SCHEMBL6606586 0.79 ACHE (0.63) MAPTACHEBCHEGRIN1GRIN2A
SCHEMBL8006170 0.79 ACHE (1.00) ACHEBCHEGRIN1GRIN2ACHRM1
Hydrochloric Acid SCHEMBL29817833 0.78 ACHE (1.00) ACHEBCHEGRIN1GRIN2ACHRM1
Hydrochloric Acid SCHEMBL29817811 0.78 ACHE (1.00) ACHEBCHEGRIN1GRIN2ACHRM1
SCHEMBL11833516 0.77 MAPT (0.56) MAPTACHEBCHEGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997462-A1 NOVEL NAPHTHYRIDINE DERIVATIVES OR SALTS THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2000-05-03 EP claimed
EP-0997462-B1 NOVEL NAPHTHYRIDINE DERIVATIVES OR SALTS THEREOF NIPPON KAYAKU KK (JP) 2004-12-22 EP disclosed
US-6294547-B1 Naphthyridine deratives or salts thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-09-25 US disclosed
EP-0997462-A1 NOVEL NAPHTHYRIDINE DERIVATIVES OR SALTS THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2000-05-03 EP disclosed