SCHEMBL7479310

SCHEMBL7479310

CN(C)C(=O)Oc1ccc2c(c1)CCCN(Nc1ccncc1)C2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.43
PTGES O14684 1/20 0.39
KDM4E B2RXH2 1/20 0.38
BCHE P06276 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
Hydrochloric Acid SCHEMBL7479308 0.99 ACHE (0.43) ACHEPTGESKDM4EBCHERAB9A
SCHEMBL7484036 0.94 ACHE (0.43) ACHEBCHERAB9ANPSR1
SCHEMBL7477425 0.89 ACHE (0.46) ACHEBCHERAB9ANPSR1
SCHEMBL7478479 0.84 MEN1 (0.48) ACHEKDM4EBCHENPSR1
Hydrochloric Acid SCHEMBL7475937 0.84 MEN1 (0.47) ACHEKDM4EBCHE
SCHEMBL7477503 0.82 DRD1 (0.52)
SCHEMBL7475137 0.78 KMT2A (0.53) ACHEKDM4EBCHENPSR1
SCHEMBL7477389 0.78 KMT2A (0.53) ACHEKDM4EBCHENPSR1
SCHEMBL7484532 0.77 KMT2A (0.42) ACHEKDM4EBCHENPSR1
SCHEMBL7483332 0.76 DRD1 (0.48)

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
EP-0950056-B1 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP claimed