SCHEMBL7705314

SCHEMBL7705314

O=C(O)CC1CN(c2ccccc2)c2cc(C(=O)NCCCNc3ccccn3)ccc2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.45
ITGAV P06756 13/20 0.45
ITGA2B P08514 8/20 0.45
HTR1A P08908 3/20 0.41
HTR1D P28221 1/20 0.41
ITGB1 P05556 2/20 0.40
HTR2A P28223 2/20 0.39
DRD3 P35462 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
ADRA1B P35368 1/20 0.39
KCNH2 Q12809 1/20 0.39
ITGB5 P18084 3/20 0.37
SLC6A4 P31645 1/20 0.37
NPC1 O15118 2/20 0.37
PKM P14618 2/20 0.37

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
SCHEMBL6853814 1.00 ITGB3 (0.45) ITGB3ITGAVITGA2BHTR1AHTR1D
SCHEMBL6859209 0.98 ITGB3 (0.45) ITGB3ITGAVITGA2BHTR1AHTR1D
SCHEMBL6859241 0.95 ITGB3 (0.50) ITGB3ITGAVITGA2BHTR1AHTR1D
SCHEMBL7711502 0.92 ITGB3 (0.41) ITGB3ITGAVITGA2BHTR1AHTR1D
SCHEMBL6854032 0.86 ITGB3 (0.46) ITGB3ITGAVITGA2BHTR1AHTR2A
SCHEMBL6859265 0.84 ITGB3 (0.46) ITGB3ITGAVITGA2BHTR1AHTR2A
SCHEMBL7713835 0.84 ITGB3 (0.41) ITGB3ITGAVITGA2BHTR1AHTR1D
SCHEMBL6860791 0.84 ITGB3 (0.41) ITGB3ITGAVITGA2BHTR1AHTR1D
SCHEMBL7708659 0.83 ITGB3 (0.43) ITGB3ITGAVITGA2BHTR1AHTR1D
SCHEMBL6860274 0.83 ITGB3 (0.43) ITGB3ITGAVITGA2BHTR1AHTR1D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed
US-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed