SCHEMBL9051886

SCHEMBL9051886

C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)OC(C)(C)C.C[C@H]1CNC[C@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.49
DRD4 P21917 7/20 0.49
DRD3 P35462 7/20 0.49
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPFFR1 Q9GZQ6 1/20 0.42
NPFFR2 Q9Y5X5 1/20 0.42
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
KCNA3 P22001 1/20 0.40
EPHX2 P34913 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
JAK1 P23458 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
MC4R P32245 1/20 0.38
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL9051882 1.00 DRD2 (0.49) DRD2DRD4DRD3KMT2AL3MBTL1
SCHEMBL3187519 0.91 KMT2A (0.55) DRD2DRD4DRD3KMT2AL3MBTL1
SCHEMBL7835003 0.91 KMT2A (0.55) DRD2DRD4DRD3KMT2AL3MBTL1
SCHEMBL1781856 0.91 KMT2A (0.55) DRD2DRD4DRD3KMT2AL3MBTL1
SCHEMBL19121559 0.91 KMT2A (0.55) DRD2DRD4DRD3KMT2AL3MBTL1
SCHEMBL7834998 0.91 KMT2A (0.55) DRD2DRD4DRD3KMT2AL3MBTL1
SCHEMBL3187533 0.91 KMT2A (0.55) DRD2DRD4DRD3KMT2AL3MBTL1
SCHEMBL6208015 0.87 KMT2A (0.53) DRD2DRD4DRD3KMT2AL3MBTL1
SCHEMBL6480037 0.87 KMT2A (0.53) DRD2DRD4DRD3KMT2AL3MBTL1
SCHEMBL1779389 0.83 DRD2 (0.50) DRD2DRD4DRD3KMT2AL3MBTL1

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-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO disclosed