SCHEMBL6980339

SCHEMBL6980339

[N]C1CCCCC(CCc2cccs2)N1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
TAAR1 Q96RJ0 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6977732 0.85 HSD17B10 (0.40) HRH3MEN1KMT2AHPGDALDH1A1
SCHEMBL6981221 0.76 POLB (0.45)
SCHEMBL13393831 0.76 HRH3 (0.44) HRH3TAAR1MEN1KMT2AALDH1A1
SCHEMBL6980335 0.74 HRH3 (0.38) HRH3TAAR1MEN1KMT2AHPGD
SCHEMBL6976836 0.74 GAA (0.40) HRH3
Hydrochloric Acid SCHEMBL6976887 0.73 HRH3 (0.37) HRH3TAAR1MEN1KMT2AHPGD
SCHEMBL29064511 0.73 HPGD (0.56) HRH3TAAR1MEN1KMT2AHPGD
SCHEMBL6980218 0.72 CHRM2 (0.36) ALDH1A1
SCHEMBL6978953 0.72 NR1H4 (0.36)
SCHEMBL6975226 0.71 SLC18A3 (0.43)

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