SCHEMBL16649755

SCHEMBL16649755

CN1CC(N)C(c2ccc(F)c(F)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
SLC6A2 P23975 5/20 0.44
SLC6A3 Q01959 5/20 0.44
SLC6A4 P31645 4/20 0.44
KDM1A O60341 9/20 0.44
KCNH2 Q12809 2/20 0.44
KDM1B Q8NB78 1/20 0.44

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
SCHEMBL16649448 1.00 HTR2A (0.45) HTR2AHTR2CHTR2BSLC6A2SLC6A3
SCHEMBL16649761 0.86 MAPK1 (0.39) SLC6A2SLC6A3SLC6A4KDM1AKCNH2
SCHEMBL12498977 0.86 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4KDM1AKCNH2
SCHEMBL16690824 0.86 MAPK1 (0.39) SLC6A2SLC6A3SLC6A4KDM1AKCNH2
SCHEMBL16649529 0.86 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4KDM1AKCNH2
SCHEMBL16649573 0.83 KDM1A (0.66) KDM1AKCNH2KDM1B
SCHEMBL16649683 0.83 KDM1A (0.52) SLC6A2SLC6A3SLC6A4KDM1A
SCHEMBL16649666 0.83 KDM1A (0.66) KDM1AKCNH2KDM1B
SCHEMBL16133827 0.81 KDM1A (0.57) HTR2AHTR2CHTR2BSLC6A2SLC6A3
SCHEMBL16109604 0.81 KDM1A (0.57) HTR2AHTR2CHTR2BSLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP claimed