SCHEMBL6609348

SCHEMBL6609348

CNc1c2c(nc3ccc(Cl)cc13)CCNC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
PDE5A O76074 2/20 0.48
ACHE P22303 7/20 0.46
BCHE P06276 4/20 0.46
GRIN1 Q05586 4/20 0.46
GRIN2A Q12879 4/20 0.46
TSHR P16473 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.42
CASP6 P55212 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
HTR3A P46098 2/20 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
SCHEMBL6605996 0.85 BCHE (0.45) MAPTPDE5AACHEBCHEGRIN1
SCHEMBL6607775 0.82 ACHE (0.52) PDE5AACHEBCHEGRIN1GRIN2A
SCHEMBL16684283 0.81 ACHE (0.65) MAPTACHEBCHEGRIN1GRIN2A
SCHEMBL6609155 0.81 MAPT (0.47) MAPTACHEBCHEPOLBHTR2C
SCHEMBL6607526 0.81 MAPT (0.67) MAPTACHEBCHEGRIN1GRIN2A
SCHEMBL6611810 0.77 MAPT (0.97) MAPTACHEBCHEGRIN1GRIN2A
SCHEMBL11833516 0.76 MAPT (0.56) MAPTACHEBCHEGRIN1GRIN2A
SCHEMBL11833837 0.75 MAPT (0.56) MAPTACHEBCHEGRIN1GRIN2A
Hydrochloric Acid SCHEMBL11833634 0.75 MAPT (0.58) MAPTACHEBCHEGRIN1GRIN2A
SCHEMBL9173286 0.73 ACHE (0.46) 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