SCHEMBL5494073

SCHEMBL5494073

Nc1cccc(OCCCC2CCCNC2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.47
TSHR P16473 1/20 0.46
NPY1R P25929 10/20 0.42
ACP1 P24666 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
NFE2L2 Q16236 1/20 0.40
MAP2K1 Q02750 1/20 0.39
LTA4H P09960 1/20 0.39

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
SCHEMBL13452426 0.85 SLC6A2 (0.53) EEDTP53CYP3A4MAP2K1
SCHEMBL4462919 0.84 NFE2L2 (0.57) NPY1RKMT2AHRH3NFE2L2
SCHEMBL11715794 0.83 NPY1R (0.42) EEDNPY1RACP1
SCHEMBL6632458 0.81 EED (0.44) EEDNPY1RACP1KMT2AMAP2K1
SCHEMBL6932722 0.81 NPY1R (0.46) EEDNPY1RHRH3
SCHEMBL11715754 0.81 EED (0.40) EEDNPY1RACP1KMT2A
SCHEMBL8971574 0.80 EED (0.46) EEDNPY1RACP1CYP3A4KMT2A
SCHEMBL11715735 0.79 KMT2A (0.45) EEDNPY1RACP1KMT2AHRH3
SCHEMBL30556335 0.78 ACP1 (0.47) EEDNPY1RACP1
SCHEMBL5188095 0.78 ACP1 (0.55) EEDACP1CYP3A4KMT2A

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-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO disclosed