SCHEMBL20852604

SCHEMBL20852604

Cc1ccc(OCCNF)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 10/20 0.66
▸ DRD4 P21917 10/20 0.66
▸ DRD3 P35462 10/20 0.66
▸ NPC1 O15118 3/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ POLB P06746 1/20 0.46

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
SCHEMBL23067930 0.83 DRD2 (0.92) DRD2DRD4DRD3NPC1KDM4E
SCHEMBL2470398 0.81 DRD2 (0.68) DRD2DRD4DRD3NPC1KDM4E
Hydrochloric Acid SCHEMBL8053903 0.81 DRD2 (0.88) DRD2DRD4DRD3NPC1KDM4E
SCHEMBL313373 0.79 DRD2 (0.64) DRD2DRD4DRD3NPC1KDM4E
Hydrochloric Acid SCHEMBL8042240 0.79 DRD2 (0.92) DRD2DRD4DRD3NPC1KDM4E
Hydrochloric Acid SCHEMBL21595673 0.79 DRD2 (0.66) DRD2DRD4DRD3NPC1KDM4E
SCHEMBL11453076 0.79 DRD2 (0.66) DRD2DRD4DRD3NPC1KDM4E
SCHEMBL14174988 0.79 DRD2 (0.71) DRD2DRD4DRD3NPC1KDM4E
SCHEMBL10509067 0.78 DRD2 (0.75) DRD2DRD4DRD3NPC1KDM4E
Hydrochloric Acid SCHEMBL11127451 0.78 DRD2 (0.63) DRD2DRD4DRD3NPC1KDM4E

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-2753605-B1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING INC (US) 2019-03-27 — — EP disclosed
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