SCHEMBL7956465

SCHEMBL7956465

COc1cc(C=O)cc(OCCN(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.52
MAOA P21397 3/20 0.52
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.42
AHR P35869 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
LTA4H P09960 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL13411260 0.81 CYP1A1 (0.45) MAOBMAOAMAPTAHRCYP1A1
SCHEMBL24993379 0.81 AHR (0.53) MAOBMAOAMAPTSMN1; SMN2AHR
SCHEMBL89112 0.80 AHR (0.47) MAOBMAOAMAPTSMN1; SMN2AHR
SCHEMBL31115580 0.80 FFAR1 (0.45) MAOBMAOAMAPTAHRCYP1A1
SCHEMBL7147685 0.80 AHR (0.64) MAOBMAOAMAPTSMN1; SMN2AHR
SCHEMBL378068 0.80 FFAR1 (0.45) MAOBMAOAMAPTAHRCYP1A1
SCHEMBL13095989 0.80 MAPT (0.55) MAOBMAOAMAPTSMN1; SMN2CHRNB2
SCHEMBL29607136 0.79 PDK2 (0.45) MAOBMAOAAHR
SCHEMBL228003 0.78 CYP1A1 (0.64) MAPTAHRCYP1A1CYP1B1
SCHEMBL14831492 0.78 MAPT (0.53) MAOBMAOAMAPTSMN1; SMN2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023010191-A1 N-ACYLHYDRAZONE COMPOUNDS CAPABLE OF INHIBITING NAV1.7 AND/OR NAV1.8, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS EUROFARMA LABORATÓRIOS S.A. (BR) 2023-02-09 WO disclosed
US-6297274-B1 SUBSTITUTED 5-HYDROXYFURANONES WARNER-LAMBERT COMPANY 2001-10-02 US disclosed
WO-1997037985-A1 NONPEPTIDE ENDOTHELIN ANTAGONISTS WITH INCREASED WATER SOLUBILITY WARNER-LAMBERT COMPANY (US) 1997-10-16 WO disclosed