SCHEMBL3711587

SCHEMBL3711587

COC(=O)c1cc(Cl)nc(N2CCN(CCCO)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.41
HTR2A P28223 6/20 0.41
HTR1A P08908 5/20 0.41
HTR7 P34969 1/20 0.41
HTR2C P28335 3/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.39
DRD2 P14416 6/20 0.39
DRD4 P21917 3/20 0.39
SLC29A1 Q99808 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR4 Q13639 1/20 0.39
PIM1 P11309 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 0.93 LMNA (0.43) PIK3CAPIK3CBMAPTLMNAHTR4
SCHEMBL3716892 0.87 HTR4 (0.43) DRD3HTR2AHTR1APIK3CAPIK3CB
SCHEMBL3711915 0.86 PIK3CA (0.53) PIK3CAPIK3CBMAPTLMNA
SCHEMBL3714245 0.84 KDM4E (0.51) PIK3CAPIK3CBMAPTLMNA
SCHEMBL3716189 0.81 LMNA (0.46) PIK3CAPIK3CBLMNA
SCHEMBL20206898 0.81 LMNA (0.46) PIK3CAPIK3CBLMNA
SCHEMBL3710077 0.80 LMNA (0.41) DRD3PIK3CAPIK3CBLMNADRD2
SCHEMBL3716897 0.80 KDM4E (0.47) PIK3CAPIK3CBMAPTLMNA
SCHEMBL1579188 0.79 PIK3CA (0.44) PIK3CAPIK3CBMAPTLMNA
SCHEMBL1579169 0.78 PIK3CA (0.58) PIK3CAPIK3CBMAPT

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