SCHEMBL8196331

SCHEMBL8196331

N#CN/C(=N/c1ccncc1)NCCOCCOC(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 7/20 0.36
ADRB1 P08588 7/20 0.36
ADRB3 P13945 7/20 0.36
HTT P42858 1/20 0.36
HTR1A P08908 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
HRH4 Q9H3N8 2/20 0.34
SIGMAR1 Q99720 1/20 0.33
IMPDH2 P12268 1/20 0.33
NPY5R Q15761 1/20 0.33
NAMPT P43490 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL8196333 1.00 ADRB2 (0.36) ADRB2ADRB1ADRB3HTTHTR1A
SCHEMBL7982471 0.90 SLC6A2 (0.37) ADRB2ADRB1ADRB3SIGMAR1NAMPT
SCHEMBL7982467 0.90 SLC6A2 (0.37) ADRB2ADRB1ADRB3SIGMAR1NAMPT
SCHEMBL7979656 0.88 HTR1A (0.42) ADRB2ADRB1ADRB3HTTHTR1A
SCHEMBL7979658 0.88 HTR1A (0.42) ADRB2ADRB1ADRB3HTTHTR1A
SCHEMBL8195910 0.86 HRH4 (0.36) ADRB2ADRB1ADRB3HTTHTR1A
SCHEMBL8195916 0.86 HRH4 (0.36) ADRB2ADRB1ADRB3HTTHTR1A
SCHEMBL7977997 0.81 LATS1 (0.37) HRH4IMPDH2NAMPTLMNA
SCHEMBL7978001 0.81 LATS1 (0.37) HRH4IMPDH2NAMPTLMNA
SCHEMBL8200604 0.79 NAMPT (0.35) ADRB2ADRB1ADRB3HRH4IMPDH2

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-2000061561-A1 CYANOGUANIDINE COMPOUNDS SHIONOGI BIORESEARCH CORP. (US) 2000-10-19 WO claimed
WO-2000061561-A1 CYANOGUANIDINE COMPOUNDS SHIONOGI BIORESEARCH CORP. (US) 2000-10-19 WO disclosed