SCHEMBL3905650

SCHEMBL3905650

CC(C)(C)OC(=O)C(Cl)[C@H]1CCCN1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
DHFR P00374 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
SCHEMBL8792121 0.87 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL4966930 0.87 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL990458 0.87 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL8563263 0.85 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL8563270 0.85 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL8561699 0.85 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL8561697 0.85 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL1088984 0.85 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL4966921 0.83 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL8030573 0.82 SLC6A3 (0.37) SLC6A3SLC6A2SLC6A4DHFR

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-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed