SCHEMBL20141780

SCHEMBL20141780

COC(=O)c1cc2c(N3CCN(c4ccccc4C#N)CC3)c[nH]c2cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.46
DRD3 P35462 4/20 0.46
DRD2 P14416 4/20 0.46
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HTR2A P28223 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
THPO P40225 1/20 0.44
HIF1A Q16665 1/20 0.44
HTR1A P08908 2/20 0.43
HTR1D P28221 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 1/20 0.41
NR4A2 P43354 2/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
PMP22 Q01453 1/20 0.40

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
SCHEMBL20140647 0.89 DRD4 (0.46) DRD4DRD3DRD2KDM4EALDH1A1
SCHEMBL20141682 0.87 AVPR1A (0.49) DRD4DRD3DRD2KDM4EALDH1A1
SCHEMBL20157267 0.78 DRD4 (0.52) DRD4DRD3DRD2KDM4EALDH1A1
SCHEMBL20139958 0.77 NAMPT (0.53) DRD4DRD3DRD2KDM4EALDH1A1
SCHEMBL20140542 0.77 DRD4 (0.50) DRD4DRD3DRD2KDM4EALDH1A1
SCHEMBL20157237 0.76 DRD4 (0.44) DRD4DRD3DRD2KDM4EALDH1A1
SCHEMBL20139884 0.75 BDKRB1 (0.47) DRD4DRD3DRD2KDM4EALDH1A1
SCHEMBL20133548 0.73 MTOR (0.56) DRD4DRD3DRD2KDM4EALDH1A1
SCHEMBL20129666 0.73 MTOR (0.62) DRD4DRD3DRD2KDM4EALDH1A1
SCHEMBL20139835 0.73 DRD4 (0.41) DRD4DRD3DRD2KDM4EALDH1A1

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