SCHEMBL8574302

SCHEMBL8574302

CN1CCN(C2=Cc3cc([Sn](C)(C)C)ccc3Sc3ccccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
HPGD P15428 3/20 0.49
TP53 P04637 3/20 0.49
HTT P42858 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
MAPK1 P28482 2/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
DRD2 P14416 9/20 0.46
HTR2A P28223 1/20 0.46
DRD3 P35462 1/20 0.46
DRD4 P21917 8/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HRH4 Q9H3N8 1/20 0.43

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
SCHEMBL8579211 0.83 MAPT (0.51) MAPTHPGDTP53HTTNPSR1
SCHEMBL8508257 0.80 DRD2 (0.49) MAPTHPGDTP53HTTNPSR1
SCHEMBL10872624 0.76 MAPT (0.59) MAPTHPGDTP53HTTNPSR1
SCHEMBL10872963 0.76 DRD2 (0.62) MAPTHPGDTP53HTTNPSR1
SCHEMBL10873398 0.76 MAPT (0.68) MAPTHPGDTP53HTTNPSR1
SCHEMBL10874221 0.74 MAPT (0.57) MAPTHPGDTP53HTTNPSR1
SCHEMBL10873930 0.73 MAPT (0.56) MAPTHPGDTP53HTTNPSR1
SCHEMBL11481943 0.72 MAPT (0.85) MAPTHPGDTP53HTTNPSR1
SCHEMBL11470218 0.72 MAPT (0.69) MAPTHPGDTP53HTTNPSR1
SCHEMBL2541686 0.70 MAPT (0.47) MAPTHPGDTP53HTTNPSR1

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-1998001164-A1 TRICYCLIC RADIOLABELED D4 RECEPTOR LIGANDS RESOLUTION PHARMACEUTICALS INC. (CA) 1998-01-15 WO disclosed