SCHEMBL7068530

SCHEMBL7068530

CCCCCCCNC(=O)c1ccc(-n2ccnc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.63
DRD3 P35462 5/20 0.59
HTT P42858 2/20 0.58
MAPK1 P28482 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
DRD2 P14416 4/20 0.56
CYP3A4 P08684 1/20 0.55
BAZ2B Q9UIF8 1/20 0.55
CYP4Z1 Q86W10 1/20 0.53
MLYCD O95822 1/20 0.52

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
SCHEMBL4674989 0.90 CYP3A4 (0.60) DRD3HTTL3MBTL1DRD2CYP3A4
SCHEMBL9364551 0.88 MAPK1 (0.49) NAAADRD3HTTMAPK1SMN1; SMN2
SCHEMBL9363643 0.86 DRD3 (0.51) DRD3HTTMAPK1SMN1; SMN2L3MBTL1
SCHEMBL9363630 0.85 DRD3 (0.55) DRD3HTTMAPK1SMN1; SMN2DRD2
Hydrochloric Acid SCHEMBL9364164 0.84 DRD3 (0.54) DRD3HTTSMN1; SMN2DRD2CYP3A4
SCHEMBL9368933 0.84 CYP3A4 (0.63) DRD3HTTL3MBTL1CYP3A4BAZ2B
SCHEMBL10566567 0.83 CYP19A1 (0.49) NAAADRD3HTTMAPK1SMN1; SMN2
SCHEMBL9363661 0.82 ALDH1A1 (0.58) DRD3HTTMAPK1SMN1; SMN2L3MBTL1
SCHEMBL8781065 0.82 CYP4Z1 (0.57) DRD3HTTL3MBTL1DRD2CYP3A4
Hydrochloric Acid SCHEMBL9363955 0.81 BLM (0.59) DRD3HTTMAPK1SMN1; SMN2L3MBTL1

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
US-6525908-B1 Floppy disk FUJI PHOTO FILM CO., LTD. (JP) 2003-02-25 US disclosed