SCHEMBL9014015

SCHEMBL9014015

NCCCCCCNCC(O)COc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
OPRM1 P35372 1/20 0.62
OPRD1 P41143 1/20 0.62
KMT2A Q03164 1/20 0.62
LMNA P02545 1/20 0.58
ADRB1 P08588 6/20 0.55
ADRB3 P13945 6/20 0.55
ADRB2 P07550 2/20 0.55
CYP1A2 P05177 1/20 0.55
ATM Q13315 1/20 0.53
CYP2D6 P10635 2/20 0.52
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TOP2A P11388 1/20 0.49

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
SCHEMBL23612629 0.99 MEN1 (0.60) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL7327969 0.91 MEN1 (0.68) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL11129368 0.88 MEN1 (0.65) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL7367871 0.87 MEN1 (0.63) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL7367538 0.86 MEN1 (0.62) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL7364771 0.86 MEN1 (0.62) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL7367855 0.84 MEN1 (0.63) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL11239966 0.84 MEN1 (0.56) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL21775649 0.84 MEN1 (0.67) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL21775559 0.84 MEN1 (0.67) MEN1OPRM1OPRD1KMT2ALMNA

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-0740649-A1 NITROXY GROUP-CONTAINING BENZYLAMINE DERIVATIVES AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES, AS WELL AS INCREASED INTRA-OCULAR PRESSURE Byk Nederland BV (NL) 1996-11-06 EP disclosed
WO-1995019952-A1 NITROXY GROUP-CONTAINING BENZYLAMINE DERIVATIVES AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES, AS WELL AS INCREASED INTRA-OCULAR PRESSURE BYK NEDERLAND BV (NL) 1995-07-27 WO disclosed