SCHEMBL6003389

SCHEMBL6003389

O=C([CH]Oc1ccc(OC(F)(F)F)cc1)C1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.51
EPHX1 P07099 2/20 0.51
HSD11B1 P28845 1/20 0.41
CYP2D6 P10635 1/20 0.40
MGLL Q99685 1/20 0.40
P2RY14 Q15391 1/20 0.40
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
EPHX2 P34913 5/20 0.39
AURKA O14965 1/20 0.38
TPX2 Q9ULW0 1/20 0.38
KDM2B Q8NHM5 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
SCHEMBL5548079 0.81 HSD11B1 (0.59) HTR2CEPHX1HSD11B1CYP2D6MGLL
Hydrochloric Acid SCHEMBL6208842 0.80 MEN1 (0.59) HTR2CEPHX1HSD11B1CYP2D6MGLL
SCHEMBL11393976 0.75 CYP2D6 (0.56) HTR2CEPHX1HSD11B1CYP2D6MGLL
SCHEMBL11393975 0.75 CYP2D6 (0.56) HTR2CEPHX1HSD11B1CYP2D6MGLL
Tert-Butyl Formate SCHEMBL27968919 0.75 HSD11B1 (0.49) HTR2CEPHX1HSD11B1CYP2D6MGLL
SCHEMBL4630575 0.73 HTR2C (0.62) HTR2CEPHX1HSD11B1EPHX2
SCHEMBL27852403 0.70 EPHX1 (0.62) HTR2CEPHX1EPHX2
Trifluoroacetic Acid SCHEMBL942293 0.70 EPHX1 (0.52) HTR2CEPHX1P2RY14EPHX2
SCHEMBL23390079 0.70 HTR2C (0.68) HTR2CEPHX1EPHX2
SCHEMBL17488206 0.70 HTR2C (0.68) HTR2CEPHX1EPHX2

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
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed