SCHEMBL6972547

SCHEMBL6972547

N=C(N)NCCC[C@@H](C(=O)c1nc2ccccc2s1)N1CCC[C@H]1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.43
CNR1 P21554 1/20 0.41
MAOB P27338 1/20 0.40

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 0.90 MAOB (0.44) MAOB
SCHEMBL6976617 0.88 SMYD3 (0.42) MAOB
SCHEMBL6976833 0.88 F2 (0.36) F2MAOB
SCHEMBL6976473 0.88 RAB9A (0.37) F2MAOB
SCHEMBL6976541 0.87 MAOB (0.47) MAOB
SCHEMBL7498504 0.87 F2 (0.46) F2
SCHEMBL6975942 0.86 F2 (0.35) F2MAOB
SCHEMBL8375982 0.86 F2 (0.47) F2
SCHEMBL8939655 0.86 F2 (0.47) F2
SCHEMBL7434967 0.84 F2 (0.43) F2

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