SCHEMBL7652647

SCHEMBL7652647

OCCNCc1cncc(CNCCO)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.46
CHRM2 P08172 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDCD1 Q15116 6/20 0.40
CD274 Q9NZQ7 6/20 0.40
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL13540996 0.88 GSR (0.45) GSRCHRM2CYP1A2CYP2D6SMN1; SMN2
SCHEMBL31226482 0.87 GSR (0.40) GSRCHRM2CYP1A2CYP2D6SMN1; SMN2
SCHEMBL114055 0.87 GSR (0.40) GSRCHRM2CYP1A2CYP2D6SMN1; SMN2
SCHEMBL30635465 0.83 CHRM2 (0.43) GSRCHRM2CYP1A2CYP2D6SMN1; SMN2
SCHEMBL27088752 0.82 GSR (0.41) GSRCHRM2CYP1A2CYP2D6SMN1; SMN2
SCHEMBL29998684 0.82 GSR (0.41) GSRCHRM2CYP1A2CYP2D6SMN1; SMN2
SCHEMBL28206269 0.79 ATM (0.51) GSRALDH1A1KDM4EPOLB
SCHEMBL29998956 0.78 CYP3A4 (0.48) GSRPDCD1CD274KDM4E
SCHEMBL29870183 0.78 CYP1A2 (0.74) CHRM2CYP1A2CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL4051279 0.78 CYP1A2 (0.74) CHRM2CYP1A2CYP2D6SMN1; SMN2ALDH1A1

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 6 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
EP-1001944-A1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP claimed
WO-1999003844-A1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO 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
EP-1001944-A1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP disclosed
WO-1999003844-A1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO disclosed