SCHEMBL7394102

SCHEMBL7394102

C[C@H](CS)C(=O)O[C@@H](CSc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ACE P12821 5/20 0.40
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
FFAR1 O14842 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL7394099 1.00 MTNR1A (0.44) MTNR1AMTNR1BMAOAMAOBACE
Amantadine SCHEMBL7394660 0.86 MTNR1A (0.34) MTNR1AMTNR1BMAOAMAOBACE
Amantadine SCHEMBL7398747 0.86 MTNR1A (0.34) MTNR1AMTNR1BMAOAMAOBACE
Amantadine SCHEMBL7394662 0.86 MTNR1A (0.34) MTNR1AMTNR1BMAOAMAOBACE
SCHEMBL9240331 0.84 ACE (0.47) MTNR1AMTNR1BMAOAMAOBACE
SCHEMBL9240334 0.84 ACE (0.47) MTNR1AMTNR1BMAOAMAOBACE
SCHEMBL9240332 0.83 MME (0.39) ACEALDH1A1
SCHEMBL7393328 0.83 MME (0.39) ACEALDH1A1
SCHEMBL7398652 0.82 MMP1 (0.40) ACEALDH1A1
SCHEMBL7398653 0.82 MMP1 (0.40) ACEALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0535042-B1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1995-03-29 EP claimed
US-5348978-A Angiotensin converting enzyme inhibitors FISONS PLC (GB) 1994-09-20 US claimed
EP-0535042-A1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS. FISONS PLC (GB) 1993-04-07 EP claimed
WO-1992000276-A2 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1992-01-09 WO claimed