SCHEMBL20156862

SCHEMBL20156862

COC(C)N1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.45
HTR2A P28223 2/20 0.45
HRH1 P35367 1/20 0.45
HTR7 P34969 7/20 0.45
HTR1A P08908 6/20 0.45
THRB P10828 1/20 0.43
MC4R P32245 1/20 0.42
HSP90AB1 P08238 1/20 0.41
DRD4 P21917 4/20 0.41
GRM5 P41594 1/20 0.41
DRD3 P35462 2/20 0.41

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
SCHEMBL13898671 0.84 MC4R (0.51) DRD2HTR2AHRH1HTR7HTR1A
SCHEMBL20156961 0.81 DRD2 (0.49) DRD2HTR2AHTR7HTR1AMC4R
SCHEMBL3088832 0.80 DRD4 (0.54) DRD2HTR7HTR1ADRD4GRM5
SCHEMBL20156977 0.78 HTR7 (0.47) DRD2HTR2AHTR7HTR1ATHRB
SCHEMBL2077261 0.75 ADRA2C (0.56) DRD2HTR2AHTR7HTR1ADRD4
SCHEMBL31664662 0.75 HTR7 (0.41) DRD2HTR2AHTR7HTR1ATHRB
SCHEMBL12132217 0.74 DRD2 (0.39) DRD2HTR2AHTR7HTR1ATHRB
SCHEMBL20157270 0.74 DRD2 (0.54) DRD2HTR2AHTR7HTR1AHSP90AB1
Hydrochloric Acid SCHEMBL1483325 0.74 ADRA2C (0.55) DRD2HTR2AHTR7HTR1ADRD4
SCHEMBL20157218 0.73 HTR7 (0.40) DRD2HTR2AHRH1HTR7HTR1A

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