SCHEMBL4363873

SCHEMBL4363873

NC1CCC(NC(=O)N[C@@H]2CCNC2)CC1.NC1CCC(NC(=O)N[C@@H]2CCNC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.62
EPHX2 P34913 3/20 0.44
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
SMYD3 Q9H7B4 6/20 0.39
SUV39H1 O43463 1/20 0.38
PRMT1 Q99873 1/20 0.38
KCNH2 Q12809 1/20 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
SCHEMBL1412183 1.00 EPHX1 (0.62) EPHX1EPHX2POLBNPC1RAB9A
SCHEMBL8959925 1.00 EPHX1 (0.62) EPHX1EPHX2POLBNPC1RAB9A
SCHEMBL1412186 1.00 EPHX1 (0.62) EPHX1EPHX2POLBNPC1RAB9A
SCHEMBL241447 0.87 EPHX1 (0.74) EPHX1EPHX2POLBNPC1RAB9A
SCHEMBL241446 0.87 EPHX1 (0.74) EPHX1EPHX2POLBNPC1RAB9A
SCHEMBL3910751 0.87 EPHX1 (0.74) EPHX1EPHX2POLBNPC1RAB9A
SCHEMBL13459981 0.83 EPHX1 (0.78) EPHX1EPHX2POLBNPC1RAB9A
SCHEMBL9003889 0.82 EPHX2 (0.61) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL1412068 0.82 EPHX2 (0.61) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL28171895 0.80 EPHX1 (0.95) EPHX1EPHX2POLBNPC1RAB9A

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
EP-2018388-A2 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-28 EP disclosed
WO-2007121924-A2 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed