SCHEMBL20156848

SCHEMBL20156848

N#Cc1ccccc1N1CCN(N2CCN(c3cccc4c3NC(=O)C4)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.42
AHR P35869 1/20 0.41
GRM5 P41594 1/20 0.41
HTR1A P08908 3/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
DRD2 P14416 7/20 0.40
DRD4 P21917 4/20 0.40
DRD3 P35462 2/20 0.40
NAMPT P43490 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
KCNH2 Q12809 1/20 0.38
TACR3 P29371 1/20 0.37

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
SCHEMBL2075401 0.78 AHR (0.56) AHRGRM5HTR2AHTR2CHTR2B
SCHEMBL20129632 0.76 AHR (0.50) HTR7AHRHTR1ADRD2DRD4
SCHEMBL22187963 0.75 MTOR (0.47) HTR7GRM5DRD2DRD4DRD3
SCHEMBL20139979 0.74 MTOR (0.47) HTR7HTR1ADRD2DRD4DRD3
SCHEMBL20139917 0.74 AHR (0.45) AHRGRM5HTR1AADRA1AADRA1B
SCHEMBL3088832 0.72 DRD4 (0.54) HTR7GRM5HTR1AADRA1AADRA1B
SCHEMBL20129629 0.68 CRBN (0.53) NAMPT
SCHEMBL6949464 0.68 AR (0.46) GRM5DRD2DRD4DRD3NAMPT
SCHEMBL2077261 0.68 ADRA2C (0.56) HTR7GRM5HTR1AADRA1AADRA1B
SCHEMBL22904443 0.68 HTR1A (0.54) HTR7GRM5HTR1AADRA1AADRA1B

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