SCHEMBL9851315

SCHEMBL9851315

C[C@@H]1c2ccccc2CN1CC#N

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
RGS12 O14924 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
KMT2A Q03164 1/20 0.49
PRCP P42785 1/20 0.39
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
HTR1A P08908 2/20 0.33
TIPARP Q7Z3E1 2/20 0.33
DRD4 P21917 1/20 0.33

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
SCHEMBL9463190 1.00 MAPT (0.49) MAPTRGS12KDM4EMEN1CYP1A2
SCHEMBL9465105 0.81 MAPT (0.35) MAPTRGS12KDM4EMEN1CYP1A2
SCHEMBL9464110 0.80 PRCP (0.37) MAPTRGS12KDM4EMEN1CYP1A2
SCHEMBL11730138 0.79 SLC6A2 (0.39) MAPTRGS12KDM4EMEN1CYP1A2
Hydrochloric Acid SCHEMBL9463892 0.78 PRCP (0.36) MAPTRGS12KDM4EMEN1CYP1A2
SCHEMBL9462982 0.78 SLC6A2 (0.39) MAPTRGS12KDM4EMEN1CYP1A2
SCHEMBL9463514 0.78 HTR2A (0.37) MAPTRGS12KDM4EMEN1CYP1A2
SCHEMBL9463451 0.78 HTR2C (0.36) MAPTRGS12KDM4EMEN1CYP1A2
SCHEMBL9463417 0.78 PRCP (0.50) PRCPSLC6A2SLC6A4SLC6A3
SCHEMBL9463649 0.76 PRCP (0.43) PRCPSLC6A2SLC6A4SLC6A3

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
EP-0413433-A1 Isoindolyl-imidazole-derivatives and pharmaceutical compositions Beecham Group p.l.c. (GB) 1991-02-20 EP disclosed