SCHEMBL8095285

SCHEMBL8095285

C1CCN(CCNN(CCCN2CCCC2)[N]CCN2CCCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
PRMT8 Q9NR22 1/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 2/20 0.31
TSHR P16473 1/20 0.31
SIGMAR1 Q99720 2/20 0.31

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
SCHEMBL8104871 0.74 HPGD (0.40) HRH3LMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL8104861 0.73 HRH3 (0.34) HRH3CARM1PRMT6PRMT8LMNA
SCHEMBL5910804 0.66 HRH3 (0.62) HRH3ALDH1A1SMN1; SMN2CYP1A2MAPK1
SCHEMBL11214291 0.64 CARM1 (0.46) HRH3CA12CA1CA2CA9
SCHEMBL5910757 0.64 HRH3 (0.57) HRH3CARM1PRMT6PRMT8SMN1; SMN2
SCHEMBL13661585 0.63 HRH3 (0.56) HRH3CA12CA1CA2CA9
SCHEMBL20333472 0.63 HRH3 (0.56) HRH3SMN1; SMN2CYP1A2MAPK1TSHR
SCHEMBL7649376 0.63 HRH3 (0.56) HRH3SMN1; SMN2CYP1A2MAPK1SIGMAR1
SCHEMBL23828672 0.62 HRH3 (0.81) HRH3CARM1PRMT6PRMT8ALDH1A1
SCHEMBL4519052 0.62 HRH3 (0.81) HRH3CARM1PRMT6PRMT8ALDH1A1

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
US-6015814-A Quinazoline derivative ZENECA LIMITED (GB) 2000-01-18 US disclosed