SCHEMBL6976777

SCHEMBL6976777

N=C(N)NC(CCCNC(=O)[C@@H]1CCCN1)C(=O)c1nc2ccc(O)cc2s1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.43
MAPT P10636 1/20 0.39
SNCA P37840 1/20 0.39
MAOA P21397 1/20 0.37

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
SCHEMBL6976622 0.91 SMYD3 (0.41)
SCHEMBL6976837 0.91 F2 (0.37)
SCHEMBL6976476 0.91 F2 (0.36)
SCHEMBL6976548 0.90 MAOA (0.46) MAOBMAPTMAOA
SCHEMBL6972556 0.89
SCHEMBL6975948 0.89 F2 (0.39)
SCHEMBL6979220 0.88 NPC1 (0.41) MAOBMAOA
SCHEMBL7081704 0.83 F2 (0.45)
SCHEMBL6979285 0.80 F2 (0.46)
SCHEMBL6970503 0.79 PRCP (0.39)

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