SCHEMBL7103718

SCHEMBL7103718

O=C(NCCO)c1cnc(C(=O)NCCO)cn1.O=C(NCCO)c1cncc(C(=O)NCCO)n1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.52
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SCN2A Q99250 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
MAOB P27338 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL7109274 0.93 CNR1 (0.50) CNR1KDM4ENPC1RAB9ASCN2A
SCHEMBL7108474 0.89 CNR1 (0.53) CNR1KDM4ENPC1RAB9AHPGD
SCHEMBL10674362 0.80 KDM4E (0.67) KDM4ENPC1RAB9ALMNAHPGD
SCHEMBL7109193 0.79 ICAM1 (0.40) KDM4EHPGDSMN1; SMN2
SCHEMBL18130913 0.79 SIRT6 (0.52) CNR1NPC1RAB9AHPGDMAOB
SCHEMBL7104658 0.78 SMN1; SMN2 (0.35) CNR1KDM4ERAB9ASCN2ASCN10A
SCHEMBL23015757 0.77 CNR1 (0.45) CNR1KDM4ENPC1RAB9ASCN2A
SCHEMBL7106764 0.76 CNR1 (0.46) CNR1
SCHEMBL7105213 0.76 CNR2 (0.39) CNR1KDM4ESMN1; SMN2
SCHEMBL23015758 0.76 CNR1 (0.44) CNR1KDM4ENPC1RAB9ASCN2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001944-B1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-10-01 EP claimed