SCHEMBL3230215

SCHEMBL3230215

Nc1nc(O)c2c(n1)CN(C(=O)O)CC2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.42
CYP2C19 P33261 1/20 0.34
HSP90AB1 P08238 1/20 0.33
KDM4E B2RXH2 1/20 0.31
BPTF Q12830 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
KCNH2 Q12809 2/20 0.30
DHFR P00374 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL3116963 0.88 CYP2C19 (0.41) P2RX7CYP2C19HSP90AB1KDM4EKCNH2
SCHEMBL19547099 0.81 P2RX7 (0.42) P2RX7HSP90AB1ADORA2AADORA1
SCHEMBL3264705 0.79 ADORA1 (0.49) KDM4EADORA1
SCHEMBL1497102 0.78 DPP4 (0.39) P2RX7
SCHEMBL21315012 0.78 GAA (0.33) P2RX7KDM4E
SCHEMBL29057189 0.74 P2RX7 (0.39) P2RX7HSP90AB1ADORA2AADORA1
SCHEMBL1497228 0.73 P2RX7 (0.42) P2RX7
SCHEMBL23412929 0.72 GRM5 (0.42) P2RX7KDM4EDHFR
SCHEMBL3241010 0.71 P2RX7 (0.34) P2RX7HSP90AB1
SCHEMBL12497599 0.71 HSP90AB1 (0.47) HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2209775-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB Pharma, S.A. (BE) 2010-07-28 EP claimed
WO-2009047255-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB PHARMA, S.A. (BE) 2009-04-16 WO claimed
EP-2209775-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB Pharma, S.A. (BE) 2010-07-28 EP disclosed
WO-2009047255-A1 HETEROBICYCLIC COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS UCB PHARMA, S.A. (BE) 2009-04-16 WO disclosed