SCHEMBL5697392

SCHEMBL5697392

O=C(NCC1Cc2ccc3ccccc3c2O1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 6/20 0.53
NFKB2 Q00653 6/20 0.53
RELA Q04206 6/20 0.53
TNKS O95271 2/20 0.42
TNKS2 Q9H2K2 2/20 0.42
ATM Q13315 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CASP1 P29466 3/20 0.41
CYP1A2 P05177 1/20 0.41
HTT P42858 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL3293396 0.75 CYP1A2 (0.44) ATMLMNASMN1; SMN2CYP1A2HTT
SCHEMBL633303 0.74 LMNA (0.55) LMNASMN1; SMN2CYP1A2HTTALDH1A1
SCHEMBL6154117 0.74 LMNA (0.55) LMNASMN1; SMN2CYP1A2HTTALDH1A1
SCHEMBL633304 0.74 LMNA (0.55) LMNASMN1; SMN2CYP1A2HTTALDH1A1
SCHEMBL5697391 0.74 SIGMAR1 (0.43) NFKB1NFKB2RELAALDH1A1
SCHEMBL5697404 0.73 CYP1A2 (0.45) ATMLMNASMN1; SMN2CYP1A2HTT
SCHEMBL28134908 0.71 HTR2C (0.45) LMNASMN1; SMN2CASP1ALDH1A1
SCHEMBL8731674 0.71 LMNA (0.54) LMNASMN1; SMN2CYP1A2HTTALDH1A1
SCHEMBL7735979 0.70 LMNA (0.59) LMNASMN1; SMN2CYP1A2HTTALDH1A1
SCHEMBL7735981 0.70 LMNA (0.59) LMNASMN1; SMN2CYP1A2HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675842-A1 DIHYDROBENZOFURANYL ALKANAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Wyeth (US) 2006-07-05 EP disclosed
WO-2005040146-A1 DIHYDROBENZOFURANYL ALKANAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM WYETH (US) 2005-05-06 WO disclosed