SCHEMBL1552453

SCHEMBL1552453

CC(NC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)CN)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.43
OPRK1 P41145 11/20 0.43
APLNR P35414 1/20 0.41
EPHA2 P29317 2/20 0.41
NMUR2 Q9GZQ4 2/20 0.40
NMUR1 Q9HB89 2/20 0.40
GRB2 P62993 1/20 0.39

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
SCHEMBL1552457 1.00 OPRM1 (0.43) OPRM1OPRK1APLNREPHA2NMUR2
SCHEMBL1552452 0.94 OPRM1 (0.44) OPRM1OPRK1APLNREPHA2
SCHEMBL1552455 0.94 OPRM1 (0.44) OPRM1OPRK1APLNREPHA2
SCHEMBL31124688 0.93 OPRM1 (0.41) OPRM1OPRK1EPHA2NMUR2NMUR1
SCHEMBL29802182 0.92 OPRM1 (0.44) OPRM1OPRK1EPHA2NMUR2NMUR1
SCHEMBL10340262 0.91 ACE (0.42) OPRM1OPRK1APLNREPHA2
SCHEMBL4190053 0.91 ACE (0.42) OPRM1OPRK1APLNREPHA2
SCHEMBL4190057 0.91 ACE (0.42) OPRM1OPRK1APLNREPHA2
SCHEMBL7444428 0.91 ACE (0.42) OPRM1OPRK1APLNREPHA2
SCHEMBL27445701 0.91 ACE (0.42) OPRM1OPRK1APLNREPHA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833571-B1 COSMETIC COMPOSITION FOR SKIN APPLICATION SUITABLE FOR RELAXING EXPRESSION WRINKLES LABO COSPROPHAR AG (CH) 2011-04-27 EP disclosed
US-7846483-B2 Cosmetic composition for skin application suitable for relaxing expression wrinkles LABO COSPROPHAR AG (CH) 2010-12-07 US disclosed
EP-1833571-A1 COSMETIC COMPOSITION FOR SKIN APPLICATION SUITABLE FOR RELAXING EXPRESSION WRINKLES LABO Cosprophar AG (CH) 2007-09-19 EP disclosed
US-20070148118-A1 Cosmetic composition for skin application suitable for relaxing expression wrinkles LABO COSPROPHAR AG (CH) 2007-06-28 US disclosed
WO-2006069608-A1 COSMETIC COMPOSITION FOR SKIN APPLICATION SUITABLE FOR RELAXING EXPRESSION WRINKLES LABO COSPROPHAR AG (CH) 2006-07-06 WO disclosed