SCHEMBL6976769

SCHEMBL6976769

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 17/20 0.44
MAPT P10636 1/20 0.38
SNCA P37840 1/20 0.38
DPP4 P27487 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
MAOA P21397 1/20 0.36

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
SCHEMBL6976617 0.92 SMYD3 (0.42) MAOBDPP4
SCHEMBL6976473 0.91 RAB9A (0.37) MAOBDPP4
SCHEMBL6976833 0.91 F2 (0.36) MAOBMAPT
SCHEMBL6976541 0.90 MAOB (0.47) MAOBMAPTDPP4MAOA
SCHEMBL6972547 0.90 F2 (0.43) MAOB
SCHEMBL6975942 0.90 F2 (0.35) MAOBMAOA
SCHEMBL8939612 0.83 F2 (0.40) MAOBMAPTSNCA
SCHEMBL6970495 0.79 LMNA (0.35) DPP4
SCHEMBL7498504 0.78 F2 (0.46)
SCHEMBL6972814 0.78 DPP4 (0.34) DPP4

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