SCHEMBL8066742

SCHEMBL8066742

O=C(On1nnc2c(=O)[nH]c3cc(OCCCN4CCOCC4)ccc3c(=O)c21)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.42
KDM4E B2RXH2 1/20 0.41
MAOA P21397 1/20 0.41
PDGFRB P09619 2/20 0.40
FGFR1 P11362 1/20 0.40
KDR P35968 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
JAK2 O60674 1/20 0.39
DHODH Q02127 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
PARP1 P09874 1/20 0.39
CACNA1B Q00975 1/20 0.38
PDGFRA P16234 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
SCHEMBL8057465 0.85 ACHE (0.46) MAOASIGMAR1
Trifluoroacetic Acid SCHEMBL8066735 0.79 MAOA (0.45) EPHX2KDM4EMAOAPDGFRBFGFR1
SCHEMBL8068897 0.77 KDM4E (0.49) KDM4EMAOASIGMAR1HRH3PARP1
SCHEMBL8067124 0.76 MAOA (0.52) KDM4EMAOAPDGFRBFGFR1KDR
SCHEMBL8068112 0.73 KMT2A (0.45) KDM4E
SCHEMBL8071604 0.71 TRPM8 (0.46) KDM4EMAOA
Trifluoroacetic Acid SCHEMBL8067000 0.71 XDH (0.44) KDM4ESIGMAR1HRH3
SCHEMBL8073272 0.68 TGFBR1 (0.35) KDM4E
SCHEMBL2865177 0.67 FGFR1 (0.45) KDM4EMAOAPDGFRBFGFR1KDR
SCHEMBL8067346 0.67 CYSLTR1 (0.38) KDM4E

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-6093714-A AN ANTIALLERGENS FOR TREATMENT AND PREVENTION OF BRONCHIAL ASTHMA, ECZEMA, HIVES, ALLERGIC GASTROINTESTINAL TROUBLES, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS MEIJI SEIKA KAISHA, LTD. (JP) 2000-07-25 US disclosed
EP-0834512-A1 TRICYCLIC BENZAZEPINE COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 1998-04-08 EP disclosed