SCHEMBL8722888

SCHEMBL8722888

CCCCCCCCC(NCC)c1cccc(C(CCCCCCCC)NCC)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.49
TACR3 P29371 1/20 0.38
TSHR P16473 1/20 0.36
NAAA Q02083 2/20 0.36
ADRB2 P07550 1/20 0.35

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
SCHEMBL7766000 1.00 SLC2A1 (0.49) SLC2A1TACR3TSHRNAAAADRB2
SCHEMBL7764343 1.00 SLC2A1 (0.49) SLC2A1TACR3TSHRNAAAADRB2
SCHEMBL7764441 1.00 SLC2A1 (0.49) SLC2A1TACR3TSHRNAAAADRB2
SCHEMBL8720380 1.00 SLC2A1 (0.49) SLC2A1TACR3TSHRNAAAADRB2
SCHEMBL8723379 1.00 SLC2A1 (0.49) SLC2A1TACR3TSHRNAAAADRB2
SCHEMBL8720398 1.00 SLC2A1 (0.49) SLC2A1TACR3TSHRNAAAADRB2
SCHEMBL11264847 0.88 SLC2A1 (0.54) SLC2A1TACR3NAAA
SCHEMBL19513915 0.88 SLC2A1 (0.54) SLC2A1TACR3NAAA
SCHEMBL27462652 0.86 SLC2A1 (0.55) SLC2A1TACR3NAAA
SCHEMBL8724625 0.85 SLC2A1 (0.63) SLC2A1TACR3TSHRADRB2

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-0825175-A1 Quaternary ammonium disinfectant NICCA CHEMICAL CO., LTD. (JP) 1998-02-25 EP disclosed