SCHEMBL24328749

SCHEMBL24328749

O=C1C(=C2CC(c3ccccc3)NN2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 3/20 0.39
ALDH1A1 P00352 4/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
EPHX2 P34913 1/20 0.36
HTT P42858 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
CREBBP Q92793 1/20 0.35
SLC18A3 Q16572 1/20 0.35
OPRM1 P35372 2/20 0.33
OPRK1 P41145 2/20 0.33
OPRL1 P41146 1/20 0.33
OPRD1 P41143 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32

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
SCHEMBL24328743 0.78 BRD4 (0.42) LMNAALDH1A1MAPT
SCHEMBL24329190 0.72 ALDH1A1 (0.41) NPSR1LMNAALDH1A1MCOLN3EPHX2
SCHEMBL24329754 0.72 BRD4 (0.42)
SCHEMBL24329053 0.71 NPSR1 (0.39) NPSR1LMNAALDH1A1MCOLN3EPHX2
SCHEMBL29565275 0.70 NPSR1 (0.41) NPSR1LMNAALDH1A1MCOLN3EPHX2
SCHEMBL24329071 0.70 ALDH1A1 (0.39) NPSR1LMNAALDH1A1MCOLN3EPHX2
SCHEMBL24329187 0.68 KCNH2 (0.38) NPSR1LMNAALDH1A1MAPT
SCHEMBL15131577 0.68 NPSR1 (0.59) NPSR1LMNAALDH1A1MCOLN3HTT
SCHEMBL14776447 0.67 NPSR1 (0.54) NPSR1LMNAALDH1A1MCOLN3MAPT
SCHEMBL28232512 0.66 NOX4 (0.47) NPSR1LMNAALDH1A1EPHX2HTT

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
WO-2022080346-A1 NOVEL NITROGEN-CONTAINING CYCLIC COMPOUND AND APPLICATION THEREOF 国立大学法人佐賀大学 2022-04-21 WO disclosed
WO-2022080346-A1 NOVEL NITROGEN-CONTAINING CYCLIC COMPOUND AND APPLICATION THEREOF 国立大学法人佐賀大学 2022-04-21 WO disclosed