SCHEMBL5498783

SCHEMBL5498783

CN1CCN(C[CH]CCCN2CCN(C)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.41
SIGMAR1 Q99720 3/20 0.39
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CSNK2A3 Q8NEV1 1/20 0.37
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.34
KDM1A O60341 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
DRD3 P35462 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL7225776 0.80 HRH3 (0.54) SIGMAR1ALDH1A1MAPTHRH3
SCHEMBL643893 0.80 HRH3 (0.48) SIGMAR1ALDH1A1MAPTHRH3
SCHEMBL11833413 0.79 SIGMAR1 (0.40) SIGMAR1ALDH1A1MAPTHRH3
SCHEMBL5499433 0.78 HPGD (0.35) ALDH1A1HPGDNPC1
SCHEMBL5499197 0.77 CXCR4 (0.48) SIGMAR1KDM1ACHRM2CHRM4CHRM5
SCHEMBL4526651 0.77 KEAP1 (0.52) PAOXSIGMAR1USP2ALDH1A1HPGD
SCHEMBL3952508 0.76 PAOX (0.47) PAOXSIGMAR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL6663287 0.75 PAOX (0.60) PAOXSIGMAR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL20234244 0.75 PAOX (0.60) PAOXSIGMAR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL6657767 0.75 PAOX (0.54) PAOXSIGMAR1CSNK2A2CSNK2BCSNK2A1

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-1005470-B1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2007-08-01 EP disclosed