SCHEMBL30129318

SCHEMBL30129318

COc1ccc(O)c(OCCN(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.48
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
HTR7 P34969 1/20 0.47
ESR1 P03372 2/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BCHE P06276 1/20 0.44
TYR P14679 1/20 0.44
ACHE P22303 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
FLT3 P36888 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL17131594 0.81 BCHE (0.48) MTNR1AMTNR1BSMN1; SMN2BCHETYR
SCHEMBL14330217 0.81 SMPD1 (0.49) ESR1MTNR1AMTNR1BSMN1; SMN2BCHE
SCHEMBL1962740 0.81 ALDH1A1 (0.56) PTPN1HTR7MTNR1AMTNR1BSMN1; SMN2
SCHEMBL5880249 0.79 NOS3 (0.48) PTPN1HTR7MTNR1AMTNR1BSMN1; SMN2
SCHEMBL14330220 0.79 SMPD1 (0.54) ESR1SMN1; SMN2BCHETYRACHE
SCHEMBL15730490 0.79 HTR7 (0.60) PTPN1HTR7MTNR1AMTNR1BSMN1; SMN2
SCHEMBL11759723 0.78 ABL1 (0.62) SMN1; SMN2BCHETYRACHEALDH1A1
SCHEMBL9698459 0.77 SMPD1 (0.56) ESR1
SCHEMBL9699819 0.77 SMPD1 (0.56) ESR1
SCHEMBL8704571 0.77 SMPD1 (0.56) ESR1

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 claimed
EP-4382100-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) 2024-06-12 EP disclosed
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