SCHEMBL7659608

SCHEMBL7659608

OCC(O)CNCc1cncc(CNCC(O)CO)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 2/20 0.38
▸ ACHE P22303 1/20 0.36
▸ TYMP P19971 1/20 0.36
▸ PDCD1 Q15116 2/20 0.36
▸ CD274 Q9NZQ7 2/20 0.36
▸ ADRB2 P07550 2/20 0.34
▸ DNM1 Q05193 4/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ UPP1 Q16831 1/20 0.32
▸ PRKCQ Q04759 1/20 0.32
▸ PRKCD Q05655 1/20 0.32
▸ BCHE P06276 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
SCHEMBL7655578 0.84 PNP (0.39) PNPACHEADRB2CYP1A2CYP2D6
SCHEMBL7663573 0.83 PNP (0.36) PNPADRB2CYP1A2CYP2D6
SCHEMBL7108772 0.78 PNP (0.38) PNPTYMPPDCD1CD274DNM1
SCHEMBL10533348 0.73 DNM1 (0.57) DNM1CYP1A2CYP2D6BCHE
SCHEMBL7103571 0.73 PNP (0.42) PNPTYMPPDCD1CD274DNM1
SCHEMBL3079282 0.73 DNM1 (0.57) DNM1CYP1A2CYP2D6BCHE
SCHEMBL23052827 0.73 ADRB2 (0.46) ADRB2DNM1BCHE
SCHEMBL7657692 0.73 CD274 (0.46) PNPACHEPDCD1CD274ADRB2
SCHEMBL7652647 0.72 GSR (0.46) PDCD1CD274CYP1A2CYP2D6
SCHEMBL7663759 0.71 TYMP (0.35) PNPTYMPPDCD1CD274

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-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 — — US claimed
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 — — US disclosed
Send feedback