SCHEMBL8200604

SCHEMBL8200604

N#CN/C(=N/c1ccncc1)NCCOCCNC(=O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
PTGIR P43119 1/20 0.34
IMPDH2 P12268 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
QPCT Q16769 1/20 0.33
LMNA P02545 1/20 0.33
HRH4 Q9H3N8 4/20 0.33
HRH2 P25021 2/20 0.32
GAA P10253 1/20 0.32
HRH1 P35367 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL7977997 0.81 LATS1 (0.37) NAMPTIMPDH2QPCTLMNAHRH4
SCHEMBL7978001 0.81 LATS1 (0.37) NAMPTIMPDH2QPCTLMNAHRH4
SCHEMBL8196331 0.79 ADRB2 (0.36) NAMPTIMPDH2ADRB2ADRB1ADRB3
SCHEMBL8196333 0.79 ADRB2 (0.36) NAMPTIMPDH2ADRB2ADRB1ADRB3
SCHEMBL8200614 0.79 IKBKB (0.38) NAMPTSMN1; SMN2LMNA
SCHEMBL8919392 0.79 HRH4 (0.48) NAMPTSMN1; SMN2IMPDH2ADRB2ADRB1
SCHEMBL8195623 0.76 MEN1 (0.44) NAMPTSMN1; SMN2IMPDH2LMNAGAA
SCHEMBL8195619 0.76 MEN1 (0.44) NAMPTSMN1; SMN2IMPDH2LMNAGAA
SCHEMBL8915410 0.76 HRH4 (0.45) NAMPTIMPDH2ADRB2ADRB1ADRB3
SCHEMBL6950781 0.75 CYP3A4 (0.46) NAMPTIMPDH2ADRB2ADRB1ADRB3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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