SCHEMBL6972814

SCHEMBL6972814

N=C(N)NCCC[C@@H](C(=O)c1nc(C(=O)O)cs1)N1CCC[C@H]1C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.34
PIK3CA P42336 1/20 0.31
PLA2G4A P47712 1/20 0.31
PIN1 Q13526 1/20 0.30
SHMT1 P34896 1/20 0.30
ACKR3 P25106 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL6978874 0.88 CTSK (0.43) DPP4PIK3CAPLA2G4A
SCHEMBL8939651 0.82 EPHA2 (0.35) ACKR3
SCHEMBL6976473 0.79 RAB9A (0.37) DPP4LMNA
SCHEMBL6972547 0.79 F2 (0.43)
SCHEMBL6970495 0.79 LMNA (0.35) DPP4PIK3CALMNA
SCHEMBL6976769 0.78 MAOB (0.44) DPP4
SCHEMBL6976617 0.76 SMYD3 (0.42) DPP4PIK3CALMNA
SCHEMBL6976833 0.76 F2 (0.36)
SCHEMBL6976541 0.75 MAOB (0.47) DPP4LMNA
SCHEMBL7509967 0.75 CTSK (0.37)

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-0833839-B1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMA CORP (US) 2003-01-08 EP claimed