SCHEMBL3716892

SCHEMBL3716892

COCCN1CCN(c2cc(C(=O)OC)cc(Cl)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 4/20 0.43
HDAC6 Q9UBN7 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
SLC29A1 Q99808 1/20 0.41
MAP4K4 O95819 1/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
DRD3 P35462 1/20 0.40
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
LMNA P02545 2/20 0.40
DRD4 P21917 1/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL3710050 0.89 LMNA (0.43) HTR4PIK3CAPIK3CBFGFR1LMNA
SCHEMBL3711587 0.87 DRD3 (0.41) HTR4PIK3CAPIK3CBSLC29A1HTR1A
SCHEMBL3711915 0.87 PIK3CA (0.53) PIK3CAPIK3CBLMNAALDH1A1KMT2A
SCHEMBL3714245 0.85 KDM4E (0.51) PIK3CAPIK3CBLMNAALDH1A1KDM4E
SCHEMBL3716189 0.82 LMNA (0.46) PIK3CAPIK3CBLMNAALDH1A1KDM4E
SCHEMBL20206898 0.82 LMNA (0.46) PIK3CAPIK3CBLMNAALDH1A1KDM4E
SCHEMBL3710077 0.81 LMNA (0.41) PIK3CAPIK3CBDRD3LMNAALDH1A1
SCHEMBL981616 0.81 HTR4 (0.40) HTR4HDAC6MAP4K4HTR1AHTR2A
SCHEMBL3716897 0.81 KDM4E (0.47) PIK3CAPIK3CBLMNAALDH1A1KDM4E
SCHEMBL1579188 0.80 PIK3CA (0.44) PIK3CAPIK3CBLMNAALDH1A1KDM4E

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
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed