SCHEMBL6551292

SCHEMBL6551292

CC(C)c1ccc(S(=O)(=O)c2cc(C(C)OC(=O)N3CCNCC3)c(C#N)cc2C[C@H](N)C(=O)O)c(C(C)C)c1C(C)C

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.30

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
Hydrochloric Acid SCHEMBL6550006 0.86 PLAU (0.35)
SCHEMBL6551536 0.84 THRA (0.31)
SCHEMBL7467500 0.76 PTGDR2 (0.36)
SCHEMBL4556596 0.71 PLAU (0.41)
SCHEMBL4556761 0.68 PLAU (0.43)
SCHEMBL4557815 0.67 ITGB3 (0.42)
SCHEMBL4619934 0.66 PLAU (0.44)
SCHEMBL7461704 0.66 PTGDR2 (0.30)
Hydrochloric Acid SCHEMBL7587516 0.59 KMT2A (0.46)
SCHEMBL4679033 0.58 GRIN2B (0.52) MGLL

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-1480963-A1 METHOD FOR PRODUCING 3-AMIDINOPHENYLALANINE DERIVATIVES Pentapharm AG (CH) 2004-12-01 EP disclosed
WO-2003072559-A1 METHOD FOR PRODUCING 3-AMIDINOPHENYLALANINE DERIVATIVES PENTAPHARM AG (CH) 2003-09-04 WO disclosed