SCHEMBL7444428

SCHEMBL7444428

N=C(N)NCCC[C@H](NC(=O)C1CCCN1C(=O)CN)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.42
OPRM1 P35372 7/20 0.41
OPRK1 P41145 7/20 0.41
REN P00797 1/20 0.38
NTMT1 Q9BV86 1/20 0.38
EPHA2 P29317 2/20 0.38
APLNR P35414 1/20 0.38

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
SCHEMBL27445701 1.00 ACE (0.42) ACEOPRM1OPRK1RENNTMT1
SCHEMBL4190053 1.00 ACE (0.42) ACEOPRM1OPRK1RENNTMT1
SCHEMBL10340262 1.00 ACE (0.42) ACEOPRM1OPRK1RENNTMT1
SCHEMBL4190057 1.00 ACE (0.42) ACEOPRM1OPRK1RENNTMT1
Acetic Acid SCHEMBL31151814 0.97 OPRM1 (0.42) ACEOPRM1OPRK1RENEPHA2
SCHEMBL30138485 0.96 CAPN1 (0.40) ACEOPRM1OPRK1EPHA2APLNR
SCHEMBL31124688 0.94 OPRM1 (0.41) ACEOPRM1OPRK1NTMT1EPHA2
SCHEMBL5863304 0.93 EPHA2 (0.41) OPRM1OPRK1NTMT1EPHA2APLNR
SCHEMBL29568888 0.93 APLNR (0.42) ACEOPRM1OPRK1EPHA2APLNR
SCHEMBL31124685 0.92 ITGB3 (0.42) OPRM1OPRK1NTMT1EPHA2APLNR

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
EP-0577775-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES. RHONE POULENC RORER INT (US) 1995-01-11 EP disclosed
EP-0577775-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-01-12 EP disclosed
WO-1992017196-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-10-15 WO disclosed