SCHEMBL16706465

SCHEMBL16706465

O=C(N[C@@H](Cc1ccccn1)c1ccccc1)[C@@H]1CCCN1C(=O)CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.53
ACE P12821 12/20 0.46
ACE2 Q9BYF1 2/20 0.44
GRIN2B Q13224 1/20 0.43
PRSS1 P07477 1/20 0.43
FKBP1A P62942 1/20 0.42

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
SCHEMBL20188440 0.88 F2 (0.45) F2ACEPRSS1FKBP1A
SCHEMBL20188311 0.88 F2 (0.45) F2ACEPRSS1FKBP1A
SCHEMBL24448344 0.88 DPP4 (0.46) F2ACEPRSS1
SCHEMBL28389317 0.87 DPP4 (0.46) F2PRSS1
SCHEMBL18094995 0.87 DPP4 (0.46) F2PRSS1
SCHEMBL20859024 0.86 F2 (0.51) F2ACEACE2PRSS1
SCHEMBL20859032 0.86 F2 (0.46) F2ACEPRSS1
SCHEMBL23863889 0.86 F2 (0.46) F2ACEPRSS1
SCHEMBL20188058 0.85 DPP4 (0.43) F2PRSS1FKBP1A
SCHEMBL20188054 0.85 DPP4 (0.43) F2PRSS1FKBP1A

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
WO-2015067923-A1 NMDA ANTAGONIST PRODRUGS ASTRAZENECA AB (SE) 2015-05-14 WO disclosed