SCHEMBL7265358

SCHEMBL7265358

C#CCOCC(N)COCC(N)COCC#C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
TSHR P16473 1/20 0.31

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
SCHEMBL23723869 0.97 SLC1A3 (0.34) SLC1A3SLC1A2SLC1A1TSHR
SCHEMBL7271388 0.83
SCHEMBL31509948 0.80 ANPEP (0.38) TSHR
SCHEMBL26951871 0.78
SCHEMBL7265363 0.75 SLC1A3 (0.34) SLC1A3SLC1A2SLC1A1
SCHEMBL2090540 0.70
SCHEMBL12281776 0.70 TSHR (0.37) SLC1A3SLC1A2SLC1A1TSHR
SCHEMBL17390324 0.70 TSHR (0.37) SLC1A3SLC1A2SLC1A1TSHR
SCHEMBL26879942 0.70 MEN1 (0.33) TSHR
SCHEMBL22506805 0.70 SLC1A1 (0.48) SLC1A3SLC1A2SLC1A1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0031771-B1 1-(2-PROPYNYLOXY)-2-AMINO-3-PROPANOL ETHERS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM RIOM LABORATOIRES- C.E.R.M. (Société Anonyme) (FR) 1983-03-16 EP disclosed
EP-0031771-A1 1-(2-Propynyloxy)-2-amino-3-propanol ethers, their preparation and pharmaceutical composition containing them RIOM LABORATOIRES- C.E.R.M. (Société Anonyme) (FR) 1981-07-08 EP disclosed