SCHEMBL4415157

SCHEMBL4415157

CC(C)(C)OC(=O)Nc1ccc(Cn2nc(-c3ccc(Cl)cc3)c3c2CCN(C(=O)O)CC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.47
KCNK3 O14649 8/20 0.45
HTR7 P34969 2/20 0.44
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44
CYP17A1 P05093 1/20 0.42
CTSS P25774 3/20 0.41
DRD2 P14416 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
LYN P07948 1/20 0.39
HCK P08631 1/20 0.39
SRC P12931 1/20 0.39
FRK P42685 1/20 0.39
BLK P51451 1/20 0.39
PTK6 Q13882 1/20 0.39

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
SCHEMBL2075014 0.93 KCNK3 (0.45) PTGDR2KCNK3HTR7HTR1AHTR2A
SCHEMBL2077035 0.84 KCNK3 (0.51) KCNK3HTR7HTR1AHTR2ACTSS
SCHEMBL2075779 0.82 HTR7 (0.51) KCNK3HTR7HTR1AHTR2ACTSS
SCHEMBL2073889 0.82 HTR7 (0.56) KCNK3HTR7HTR1AHTR2ACTSS
SCHEMBL4419022 0.81 HTR7 (0.65) KCNK3HTR7HTR1AHTR2ACTSS
SCHEMBL2076212 0.80 KCNK3 (0.47) KCNK3HTR7HTR1AHTR2ACTSS
SCHEMBL2075978 0.80 KCNK3 (0.53) KCNK3HTR7HTR1AHTR2ACTSS
SCHEMBL2075400 0.78 LMNA (0.46) KCNK3HTR7HTR1AHTR2ACTSS
SCHEMBL2075020 0.75 KCNK3 (0.44) KCNK3CTSS
SCHEMBL2076503 0.74 CTSS (0.46) CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1668014-B1 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-01-14 EP disclosed
EP-1944306-A1 Fused heterocyclic compounds as serotonin receptor modulators Janssen Pharmaceutica, N.V. (BE) 2008-07-16 EP disclosed
EP-1905774-A1 Fused heterocyclic compounds as serotonin receptor modulators Janssen Pharmaceutica, N.V. (BE) 2008-04-02 EP disclosed