SCHEMBL7982467

SCHEMBL7982467

N#CN/C(=N/c1ccncc1)NCCOCCOC(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.37
SLC6A4 P31645 8/20 0.37
SLC6A3 Q01959 8/20 0.37
NAMPT P43490 2/20 0.35
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
ADRB3 P13945 2/20 0.34
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
THPO P40225 1/20 0.32
RAB9A P51151 1/20 0.32
HIF1A Q16665 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
BLM P54132 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
SCHEMBL7982471 1.00 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3NAMPTADRB2
SCHEMBL8196333 0.90 ADRB2 (0.36) NAMPTADRB2ADRB1ADRB3LMNA
SCHEMBL8196331 0.90 ADRB2 (0.36) NAMPTADRB2ADRB1ADRB3LMNA
SCHEMBL8218893 0.80 NAMPT (0.37) SLC6A2SLC6A4SLC6A3NAMPTCYP1A2
SCHEMBL7978001 0.79 LATS1 (0.37) NAMPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7977997 0.79 LATS1 (0.37) NAMPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7979658 0.78 HTR1A (0.42) SLC6A2SLC6A4SLC6A3ADRB2ADRB1
SCHEMBL7979656 0.78 HTR1A (0.42) SLC6A2SLC6A4SLC6A3ADRB2ADRB1
SCHEMBL8195916 0.76 HRH4 (0.36) ADRB2ADRB1ADRB3CYP1A2CYP3A4
SCHEMBL8195910 0.76 HRH4 (0.36) ADRB2ADRB1ADRB3CYP1A2CYP3A4

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
US-6255323-B1 Cyanoguanidine compounds SHIONOGI BIORESEARCH CORP. 2001-07-03 US disclosed
WO-2000061561-A1 CYANOGUANIDINE COMPOUNDS SHIONOGI BIORESEARCH CORP. (US) 2000-10-19 WO disclosed