SCHEMBL7650049

SCHEMBL7650049

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 6/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PNP P00491 2/20 0.39
▸ CXCR4 P61073 2/20 0.38
▸ DNM1 Q05193 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PGK1 P00558 1/20 0.32
▸ PGK2 P07205 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
SCHEMBL7656011 0.84 TRPV3 (0.43) TRPV3NPSR1KDM4EPNPCXCR4
SCHEMBL7108663 0.82 PNP (0.39) KDM4EPNP
SCHEMBL7663595 0.81 TRPV3 (0.44) TRPV3NPSR1KDM4EPNPCXCR4
SCHEMBL7105047 0.78 PNP (0.43) KDM4EPNPDNM1
SCHEMBL7659507 0.75 TRPV3 (0.52) TRPV3NPSR1PNP
SCHEMBL11670929 0.73 KDM4E (0.61) KDM4EPNPDNM1SMN1; SMN2
SCHEMBL7654878 0.73 CXCR4 (0.41) KDM4EPNPCXCR4DNM1SMN1; SMN2
SCHEMBL7653614 0.71 CXCR4 (0.47) NPSR1CXCR4SMN1; SMN2
SCHEMBL7662208 0.69 TRPV3 (0.46) TRPV3NPSR1CXCR4
SCHEMBL8529667 0.68 LMNA (0.44) KDM4EPNP

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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