SCHEMBL6976833

SCHEMBL6976833

N=C(N)NCCC[C@@H](C(=O)c1nc2ccc(CO)cc2s1)N1CCC[C@H]1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 2/20 0.35
MAOB P27338 3/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34

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
SCHEMBL6976769 0.91 MAOB (0.44) MAPTMAOB
SCHEMBL6976617 0.90 SMYD3 (0.42) TP53MAOBNPC1RAB9A
SCHEMBL6976473 0.89 RAB9A (0.37) F2TP53MAOBNPC1RAB9A
SCHEMBL6976541 0.88 MAOB (0.47) MAPTTP53MAOBNPC1RAB9A
SCHEMBL6972547 0.88 F2 (0.43) F2MAOB
SCHEMBL6975942 0.88 F2 (0.35) F2TP53MAOBNPC1RAB9A
SCHEMBL7506385 0.84 F2 (0.40) F2PRSS1PRSS2PRSS3
SCHEMBL6970495 0.79 LMNA (0.35) F2PRSS1
SCHEMBL8939612 0.77 F2 (0.40) F2MAPTMAOB
SCHEMBL8939655 0.76 F2 (0.47) F2PRSS1PRSS2PRSS3

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