SCHEMBL7656011

SCHEMBL7656011

OCC(O)CNCc1cccc(CNCC(O)CO)n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ DNM1 Q05193 2/20 0.41
▸ CXCR4 P61073 2/20 0.39
▸ PNP P00491 2/20 0.38
▸ IDH2 P48735 3/20 0.37
▸ TYMP P19971 1/20 0.36
▸ PDCD1 Q15116 2/20 0.36
▸ CD274 Q9NZQ7 2/20 0.36

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
SCHEMBL7650049 0.84 TRPV3 (0.43) TRPV3NPSR1KDM4EDNM1CXCR4
SCHEMBL7663595 0.83 TRPV3 (0.44) TRPV3NPSR1KDM4EDNM1CXCR4
SCHEMBL7108772 0.81 PNP (0.38) KDM4EDNM1PNPTYMPPDCD1
SCHEMBL7103571 0.77 PNP (0.42) KDM4EDNM1PNPTYMPPDCD1
SCHEMBL27777044 0.74 TYMP (0.40) TRPV3KDM4EDNM1PNPTYMP
SCHEMBL27756229 0.74 TYMP (0.40) TRPV3KDM4EDNM1PNPTYMP
SCHEMBL27756230 0.74 TYMP (0.40) TRPV3KDM4EDNM1PNPTYMP
SCHEMBL10533348 0.73 DNM1 (0.57) KDM4EDNM1
SCHEMBL3079282 0.73 DNM1 (0.57) KDM4EDNM1
SCHEMBL7657692 0.73 CD274 (0.46) KDM4EDNM1CXCR4PNPPDCD1

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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