SCHEMBL4960412

SCHEMBL4960412

NC(=O)C1CCCN1c1cccnn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.45
AR P10275 1/20 0.44
SCN9A Q15858 6/20 0.41
FPR2 P25090 5/20 0.41
VNN1 O95497 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIM1 P11309 1/20 0.39
MAT2A P31153 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OGFRL1 Q5TC84 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.38
SLC6A7 Q99884 1/20 0.38
RIPK1 Q13546 1/20 0.37

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
SCHEMBL31028552 0.81 ELANE (0.49) ELANEARSCN9AFPR2SMN1; SMN2
SCHEMBL10353108 0.81 ELANE (0.49) ELANEARSCN9AFPR2SMN1; SMN2
Hydrochloric Acid SCHEMBL29659031 0.80 ELANE (0.48) ELANEARSCN9AFPR2SMN1; SMN2
Hydrochloric Acid SCHEMBL18920859 0.76 DPP4 (0.34) PIM1SLC6A7RIPK1
SCHEMBL2638702 0.75 ELANE (0.49) ELANEARSCN9AFPR2MAT2A
SCHEMBL2638698 0.75 ELANE (0.49) ELANEARSCN9AFPR2MAT2A
SCHEMBL31173895 0.74 PIM1 (0.56) ELANEARVNN1SMN1; SMN2PIM1
SCHEMBL28570406 0.74 PIM1 (0.56) ELANEARVNN1SMN1; SMN2PIM1
SCHEMBL15664903 0.74 PIM1 (0.56) ELANEARVNN1SMN1; SMN2PIM1
SCHEMBL28510719 0.74 AR (0.50) ELANEARSCN9AVNN1SMN1; SMN2

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-1896452-A2 N-FORMYL HYDROXYLAMINE COMPOUNDS Novartis Pharma AG. (CH) 2008-03-12 EP disclosed
WO-2006127576-A2 N - FORMYL HYDROXYLAMINE COMPOUNDS AS PDF INHIBITORS NOVARTIS AG (CH) 2006-11-30 WO disclosed