SCHEMBL6141682

SCHEMBL6141682

CN(Cc1ccc(OCl)nc1)C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.56
HRH4 Q9H3N8 1/20 0.56
PDE1B Q01064 1/20 0.43
PARP1 P09874 2/20 0.43
ALDH1A1 P00352 3/20 0.41
LTA4H P09960 2/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CHEK1 O14757 1/20 0.39
NTRK1 P04629 1/20 0.39
FYN P06241 1/20 0.39
RET P07949 1/20 0.39
MET P08581 1/20 0.39
PDGFRB P09619 1/20 0.39
PIM1 P11309 1/20 0.39

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
SCHEMBL5048920 0.82 HRH3 (0.59) HRH3HRH4PDE1BPARP1ALDH1A1
SCHEMBL5047964 0.81 HRH3 (0.57) HRH3HRH4PARP1ALDH1A1LTA4H
SCHEMBL16549263 0.73 HRH3 (0.74) HRH3HRH4PARP1ALDH1A1LTA4H
SCHEMBL5697695 0.72 HRH3 (0.46) HRH3
SCHEMBL6142247 0.72 PYCR1 (0.45) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL3130725 0.72 KDM4E (0.72) HRH3HRH4ALDH1A1LTA4HKDM4E
SCHEMBL12082363 0.72 HRH3 (0.77) HRH3HRH4PARP1ALDH1A1LTA4H
SCHEMBL19390961 0.71 HRH3 (0.70) HRH3HRH4PDE1BPARP1ALDH1A1
SCHEMBL3123680 0.70 HRH3 (0.69) HRH3HRH4PARP1ALDH1A1LTA4H
SCHEMBL13649128 0.70 HRH3 (0.74) HRH3HRH4PARP1ALDH1A1LTA4H

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-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 EP claimed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 WO claimed
EP-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 EP disclosed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 WO disclosed