Sugi Predict

Sugi Predict / Compounds / SCHEMBL6374240

SCHEMBL6374240

SCHEMBL6374240

CC(C)C[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.52
▸ CALCRL Q16602 1/20 0.52
▸ ACE P12821 5/20 0.51
▸ OPRK1 P41145 3/20 0.51
▸ SLC6A2 P23975 1/20 0.51
▸ ACE2 Q9BYF1 4/20 0.50
▸ OPRD1 P41143 1/20 0.50

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
SCHEMBL30586507 0.90 SLC6A2 (0.57) OPRM1CALCRLOPRK1SLC6A2OPRD1
SCHEMBL30886747 0.90 OPRK1 (0.57) OPRM1ACEOPRK1SLC6A2ACE2
SCHEMBL23094048 0.89 ACE (0.56) OPRM1ACEOPRK1SLC6A2OPRD1
SCHEMBL2045662 0.89 REN (0.54) ACEACE2
SCHEMBL7419554 0.89 REN (0.54) ACEACE2
SCHEMBL29368042 0.88 OPRM1 (0.56) OPRM1CALCRLOPRK1SLC6A2OPRD1
SCHEMBL30440345 0.88 ACE (0.60) ACEOPRK1ACE2
SCHEMBL30051643 0.88 ACE (0.60) ACEOPRK1ACE2
SCHEMBL30788014 0.87 CALCRL (0.60) CALCRLOPRK1SLC6A2
SCHEMBL29489418 0.87 SLC6A2 (0.65) OPRM1OPRK1SLC6A2OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6875743-B1 Cell adhesion inhibitors BIOGEN, INC. (US) 2005-04-05 — — US claimed
EP-0842196-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1998-05-20 — — EP disclosed
WO-1997003094-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-01-30 — — WO disclosed