SCHEMBL7663602

SCHEMBL7663602

OCC(CO)(CO)NCc1cncc(CNC(CO)(CO)CO)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ PNP P00491 2/20 0.33
▸ PDCD1 Q15116 1/20 0.30
▸ CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL7105150 0.75 HTT (0.38) HTTRAB9APNP
SCHEMBL7105302 0.70 HTT (0.40) HTTRAB9APNP
SCHEMBL7660873 0.69 HTT (0.49) HTTRAB9APNPPDCD1CD274
SCHEMBL22973716 0.67 HTT (0.39) HTTRAB9A
SCHEMBL1420821 0.67 HTT (0.50) HTTRAB9A
SCHEMBL21278561 0.67 CYP2A6 (0.41) —
SCHEMBL2728918 0.66 CYP2A6 (0.47) —
Hydrochloric Acid SCHEMBL6748936 0.65 MAPT (0.40) —
SCHEMBL22973719 0.65 HTT (0.37) HTTRAB9A
SCHEMBL7663573 0.64 PNP (0.36) PNP

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
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