SCHEMBL3434597

SCHEMBL3434597

CCOC(=O)c1cc2cc(OCCCN3CCOCC3)ccc2[nH]1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.67
PDGFRB P09619 1/20 0.63
PDGFRA P16234 1/20 0.63
BCHE P06276 1/20 0.59
MAOA P21397 1/20 0.59
ACHE P22303 1/20 0.59
MAOB P27338 1/20 0.59
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 3/20 0.57
HPGD P15428 2/20 0.57
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP1A2 P05177 1/20 0.51
CHRM2 P08172 1/20 0.51

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
SCHEMBL3432670 0.95 PDGFRB (0.70) HRH3PDGFRBPDGFRABCHEMAOA
SCHEMBL31159541 0.90 HRH3 (0.66) HRH3PDGFRBPDGFRABCHEMAOA
SCHEMBL13460792 0.86 HRH3 (0.73) HRH3PDGFRBPDGFRAALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3435039 0.85 HRH3 (0.71) HRH3PDGFRBPDGFRAALDH1A1KDM4E
SCHEMBL31159513 0.85 BCHE (0.56) HRH3PDGFRBPDGFRABCHEMAOA
SCHEMBL5843451 0.83 ALDH1A1 (0.58) HRH3ALDH1A1KDM4EHPGDRAB9A
SCHEMBL862913 0.83 KDM4E (0.74) HRH3PDGFRBPDGFRABCHEMAOA
SCHEMBL12848573 0.82 PDGFRB (0.73) HRH3PDGFRBPDGFRAALDH1A1KDM4E
SCHEMBL15623125 0.82 PDGFRB (0.76) HRH3PDGFRBPDGFRAALDH1A1KDM4E
SCHEMBL13460610 0.82 HRH3 (0.60) HRH3PDGFRBPDGFRAMAOAALDH1A1

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-2010027280-A1 NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2010-03-11 WO disclosed