SCHEMBL16801774

SCHEMBL16801774

NOCC(=O)N1CCC(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.66
BRD4 O60885 1/20 0.66
ALDH1A1 P00352 1/20 0.66
POLB P06746 1/20 0.66
CREBBP Q92793 1/20 0.66
HSD11B1 P28845 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SLC6A4 P31645 1/20 0.52
CCR2 P41597 4/20 0.52
ADRA1D P25100 3/20 0.51
KMT2A Q03164 1/20 0.50
CHRM4 P08173 1/20 0.50
ATM Q13315 1/20 0.50
DRD2 P14416 1/20 0.50
HTR2A P28223 1/20 0.50
HTR7 P34969 1/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL16801519 0.88 KDM4E (0.70) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL18324709 0.88 KDM4E (0.72) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL16801499 0.83 KDM4E (0.73) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL18324984 0.82 KDM4E (0.76) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL16801679 0.82 KDM4E (0.71) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL16801844 0.82 KDM4E (0.67) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL16801762 0.81 KDM4E (0.63) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL16801982 0.81 CHRM4 (0.63) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL16801578 0.81 KDM4E (0.70) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5705116 0.81 KDM4E (0.78) KDM4EBRD4ALDH1A1POLBCREBBP

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
WO-2015082499-A2 PHARMACEUTICAL COMPOUND IOMET PHARMA LTD (GB) 2015-06-11 WO disclosed