SCHEMBL6236440

SCHEMBL6236440

c1ccc(N2CCOCC2)c(Nc2cc(Nc3ccccc3N3CCOCC3)c3ccccc3n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.54
USP2 O75604 1/20 0.53
NCF1 P14598 2/20 0.52
MAPT P10636 7/20 0.49
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 6/20 0.49
HPGD P15428 5/20 0.49
HTT P42858 4/20 0.49
MAPK1 P28482 2/20 0.49
KMT2A Q03164 1/20 0.49
GPR55 Q9Y2T6 1/20 0.48
NPSR1 Q6W5P4 3/20 0.48
POLB P06746 1/20 0.48
NR4A1 P22736 1/20 0.48
UBE2I P63279 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
ESR2 Q92731 1/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48

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
SCHEMBL6105362 0.88 NCF1 (0.56) USP2NCF1MAPTKDM4EALDH1A1
SCHEMBL6087670 0.88 NCF1 (0.53) USP2NCF1MAPTKDM4EALDH1A1
SCHEMBL6231576 0.87 NCF1 (0.46) SLC2A1USP2NCF1MAPTKDM4E
SCHEMBL31620790 0.81 NPSR1 (0.61) USP2NCF1MAPTKDM4EALDH1A1
SCHEMBL23925278 0.80 ALDH1A1 (0.51) USP2MAPTKDM4EALDH1A1HPGD
SCHEMBL581984 0.73 HPGD (0.53) MAPTKDM4EALDH1A1HPGDHTT
SCHEMBL16928098 0.72 P2RX7 (0.49) MAPTKDM4EALDH1A1HPGDHTT
SCHEMBL12614452 0.71 P2RX7 (0.46) MAPTKDM4EALDH1A1HPGDHTT
SCHEMBL6100736 0.71 EPHB4 (0.57) MAPTKDM4EALDH1A1HPGDHTT
SCHEMBL416225 0.70 ALDH1A1 (0.44) MAPTKDM4EALDH1A1HPGDHTT

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-1430030-B1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2005-05-18 EP disclosed