SCHEMBL6976836

SCHEMBL6976836

[N]C1CCCCC(CCc2ccncc2)N1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
MMP13 P45452 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP19A1 P11511 1/20 0.40
HRH3 Q9Y5N1 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
SCHEMBL6981221 0.83 POLB (0.45)
SCHEMBL22652854 0.79 HRH3 (0.55) HRH3
SCHEMBL6967476 0.77 HRH3 (0.43) HRH3
SCHEMBL6978540 0.76 HRH3 (0.41) RAB9ASMN1; SMN2HRH3
SCHEMBL6978953 0.75 NR1H4 (0.36)
SCHEMBL6975226 0.74 SLC18A3 (0.43)
SCHEMBL6976834 0.74 GAA (0.37) GAAMMP13RAB9ASMN1; SMN2CYP19A1
SCHEMBL6980039 0.74 CYP19A1 (0.43) GAAMMP13RAB9ASMN1; SMN2CYP19A1
SCHEMBL6980339 0.74 HRH3 (0.40) HRH3
SCHEMBL13393935 0.73 HRH3 (0.43) CYP19A1HRH3

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-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP claimed