SCHEMBL16660422

SCHEMBL16660422

CN1CC[C@H](c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.50
P2RY14 Q15391 1/20 0.46
HTR2A P28223 1/20 0.46
GRM2 Q14416 2/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
PROKR1 Q8TCW9 2/20 0.44
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL10079117 1.00 HTR2C (0.50) HTR2CP2RY14HTR2AGRM2DRD2
SCHEMBL13416025 0.90 LSS (0.50) HTR2CHTR2ADRD2PROKR1SLC6A2
SCHEMBL6884365 0.89 HTR2C (0.58) HTR2CP2RY14HTR2AGRM2DRD2
SCHEMBL24540179 0.86 LSS (0.47) HTR2CP2RY14HTR2APROKR1SIGMAR1
SCHEMBL15417384 0.84 TP53 (0.43) HTR2CHTR2ASIGMAR1SLC6A2SLC6A4
SCHEMBL25594631 0.81 DRD2 (0.41) P2RY14HTR2ADRD2SLC6A2SLC6A4
SCHEMBL9230752 0.81 DRD2 (0.64) HTR2CGRM2DRD2DRD4
SCHEMBL13416053 0.80 NPC1 (0.47) HTR2CHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL2606075 0.80 NPC1 (0.47) HTR2CHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL25004303 0.80 DRD2 (0.49) HTR2CP2RY14GRM2DRD2DRD4

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 disclosed