SCHEMBL20157502

SCHEMBL20157502

C=CCCN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.54
ADRA1A P35348 2/20 0.54
ADRA1B P35368 2/20 0.54
DRD4 P21917 6/20 0.51
DRD2 P14416 5/20 0.49
HTR7 P34969 2/20 0.48
ADRA1D P25100 1/20 0.48
DRD3 P35462 3/20 0.46

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
SCHEMBL9118791 0.80 DRD2 (0.56) HTR1AADRA1AADRA1BDRD4DRD2
SCHEMBL3088832 0.79 DRD4 (0.54) HTR1AADRA1AADRA1BDRD4DRD2
SCHEMBL7968237 0.78 CYP2D6 (0.58) HTR1AADRA1AADRA1BDRD4DRD2
SCHEMBL6958871 0.77 DRD2 (0.50) HTR1AADRA1AADRA1BDRD4DRD2
SCHEMBL3196223 0.77 HTR1A (0.57) HTR1AADRA1AADRA1BDRD4DRD2
SCHEMBL5356203 0.76 DRD4 (0.55) HTR1AADRA1AADRA1BDRD4DRD2
SCHEMBL9006349 0.74 KCNH2 (0.62) HTR1ADRD4DRD2HTR7DRD3
SCHEMBL2802108 0.74 CYP1A2 (0.48) HTR1AADRA1AADRA1BDRD4DRD2
SCHEMBL2077260 0.74 GRM5 (0.51) HTR1AADRA1AADRA1BDRD4DRD2
SCHEMBL2077261 0.74 ADRA2C (0.56) HTR1AADRA1AADRA1BDRD4DRD2

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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed