SCHEMBL6970495

SCHEMBL6970495

N=C(N)NCCC[C@@H](C(=O)c1nc2c(s1)CCCC2)N1CCC[C@H]1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC3 O15379 6/20 0.32
HDAC1 Q13547 6/20 0.32
HDAC6 Q9UBN7 6/20 0.32
HDAC4 P56524 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
USP2 O75604 1/20 0.31
F10 P00742 2/20 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
SCHEMBL6967946 0.81 F2 (0.38) F2PRSS1BCHEACHE
SCHEMBL6972547 0.81 F2 (0.43) F2
SCHEMBL6976769 0.79 MAOB (0.44) DPP4
SCHEMBL6976833 0.79 F2 (0.36) F2PRSS1
SCHEMBL6972814 0.79 DPP4 (0.34) LMNAPIK3CADPP4
SCHEMBL6976617 0.78 SMYD3 (0.42) LMNAALDH1A1SMN1; SMN2PIK3CDPIK3CA
SCHEMBL6976473 0.77 RAB9A (0.37) LMNAF2ALDH1A1MAPK1SMN1; SMN2
SCHEMBL6976541 0.77 MAOB (0.47) LMNAALDH1A1MAPK1SMN1; SMN2DPP4
SCHEMBL6975942 0.76 F2 (0.35) F2ALDH1A1SMN1; SMN2
SCHEMBL6978874 0.75 CTSK (0.43) ALDH1A1MAPK1SMN1; SMN2PIK3CDPIK3CA

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