SCHEMBL9710869

SCHEMBL9710869

O=C(O)N1CCC(=C2c3ccccc3CCn3c2nc(CO)c3CO)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 3/20 0.44
FNTA P49354 4/20 0.43
FNTB P49356 4/20 0.43
HRH1 P35367 3/20 0.41
SETD7 Q8WTS6 1/20 0.36
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A15 Q9H2J7 3/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
ABHD6 Q9BV23 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL6988256 0.88 HRH1 (0.57) PTAFRFNTAFNTBHRH1MEN1
SCHEMBL15773561 0.87 SETD7 (0.51) PTAFRFNTAFNTBHRH1SETD7
SCHEMBL17589771 0.81 SETD7 (0.49) PTAFRFNTAFNTBHRH1SETD7
SCHEMBL6991408 0.77 SETD7 (0.52) PTAFRFNTAFNTBHRH1SETD7
SCHEMBL6989409 0.68 HRH1 (0.61) PTAFRFNTAFNTBHRH1MEN1
Water SCHEMBL7140605 0.68 SETD7 (0.52) PTAFRFNTAFNTBHRH1SETD7
SCHEMBL10590569 0.67 PTAFR (0.52) PTAFRFNTAFNTBHRH1SETD7
SCHEMBL6988373 0.66 HRH1 (0.61) PTAFRFNTAFNTBHRH1MEN1
SCHEMBL2124966 0.65 NOTUM (0.60) MEN1MAPTKMT2ACYP2D6CYP2C19
SCHEMBL5060512 0.65 SETD7 (0.52) PTAFRFNTAFNTBHRH1SETD7

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-0518435-A1 Imidazo[2,1-b][3]benzazepine derivatives, compositions and method of use JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 EP disclosed