SCHEMBL20140647

SCHEMBL20140647

Cc1cc2[nH]cc(N3CCN(c4ccccc4C#N)CC3)c2cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.46
DRD2 P14416 4/20 0.46
DRD3 P35462 4/20 0.46
HTR2A P28223 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 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 3/20 0.42
HTR1D P28221 1/20 0.42
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
PMP22 Q01453 1/20 0.42
TACR3 P29371 1/20 0.40
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 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
SCHEMBL20141682 0.89 AVPR1A (0.49) DRD4DRD2DRD3HTR2AALDH1A1
SCHEMBL20141780 0.89 DRD4 (0.46) DRD4DRD2DRD3HTR2AALDH1A1
SCHEMBL20156949 0.77 MTOR (0.54) DRD4DRD2DRD3ALDH1A1LMNA
SCHEMBL20140126 0.77 MTOR (0.53) DRD4DRD2DRD3HTR2AALDH1A1
SCHEMBL20140344 0.76 PHGDH (0.48) DRD4DRD2DRD3HTR2AALDH1A1
Hydrochloric Acid SCHEMBL20140671 0.76 MTOR (0.52) DRD4DRD2DRD3HTR2AALDH1A1
SCHEMBL20141103 0.76 MYC (0.57) DRD4DRD2DRD3ALDH1A1MTOR
SCHEMBL20139971 0.75 DRD4 (0.50) DRD4DRD2DRD3HTR2AALDH1A1
SCHEMBL20139955 0.75 KDM4E (0.52) DRD4DRD2DRD3HTR2AALDH1A1
SCHEMBL20157236 0.74 DRD4 (0.43) DRD4DRD2DRD3HTR2AALDH1A1

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