SCHEMBL16801982

SCHEMBL16801982

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

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.63
KDM4E B2RXH2 1/20 0.63
BRD4 O60885 1/20 0.63
ALDH1A1 P00352 1/20 0.63
POLB P06746 1/20 0.63
CREBBP Q92793 1/20 0.63
CCR2 P41597 15/20 0.53
HSD11B1 P28845 1/20 0.52

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
SCHEMBL16801580 0.89 CHRM4 (0.63) CHRM4KDM4EBRD4ALDH1A1POLB
SCHEMBL18324810 0.87 CHRM4 (0.67) CHRM4KDM4EBRD4ALDH1A1POLB
SCHEMBL16802119 0.84 KDM4E (0.71) CHRM4KDM4EBRD4ALDH1A1POLB
SCHEMBL16801948 0.84 KDM4E (0.70) CHRM4KDM4EBRD4ALDH1A1POLB
SCHEMBL16801981 0.84 KDM4E (0.64) CHRM4KDM4EBRD4ALDH1A1POLB
SCHEMBL16801774 0.81 KDM4E (0.66) CHRM4KDM4EBRD4ALDH1A1POLB
SCHEMBL16801762 0.81 KDM4E (0.63) CHRM4KDM4EBRD4ALDH1A1POLB
SCHEMBL13853726 0.79 KDM4E (0.74) CHRM4KDM4EBRD4ALDH1A1POLB
SCHEMBL6705926 0.78 CHRM4 (0.73) CHRM4KDM4EBRD4ALDH1A1POLB
SCHEMBL18324984 0.78 KDM4E (0.76) CHRM4KDM4EBRD4ALDH1A1POLB

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