SCHEMBL4658657

SCHEMBL4658657

CC(=O)[C@@H](c1ccccc1)N1CCNCC1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.50
SLC6A3 Q01959 7/20 0.50
SLC6A2 P23975 6/20 0.50
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA9 Q16790 2/20 0.46
DPP4 P27487 3/20 0.44
DPP7 Q9UHL4 2/20 0.43
KMT2A Q03164 1/20 0.42
MITF O75030 1/20 0.40
REN P00797 1/20 0.40

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
SCHEMBL4657002 0.84 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2CA1CA2
SCHEMBL4657801 0.79 SLC6A4 (0.48) SLC6A4SLC6A3SLC6A2CA1CA2
SCHEMBL8691086 0.78 MEN1 (0.40) SLC6A4SLC6A3SLC6A2CA1CA2
SCHEMBL8730096 0.74 SLC6A4 (0.55) SLC6A4SLC6A3SLC6A2CA1CA2
SCHEMBL3505719 0.74 DPP4 (0.64) SLC6A4SLC6A3SLC6A2CA1CA2
SCHEMBL3505724 0.74 DPP4 (0.64) SLC6A4SLC6A3SLC6A2CA1CA2
SCHEMBL3504324 0.74 DPP4 (0.60) SLC6A4SLC6A3SLC6A2CA1CA2
SCHEMBL3507073 0.74 DPP4 (0.60) SLC6A4SLC6A3SLC6A2CA1CA2
SCHEMBL4657207 0.74 DPP4 (0.60) SLC6A4SLC6A3SLC6A2CA1CA2
SCHEMBL3504330 0.74 DPP4 (0.60) SLC6A4SLC6A3SLC6A2CA1CA2

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-1999117-A2 RENIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2008-12-10 EP disclosed
WO-2007117961-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-18 WO disclosed