SCHEMBL4333862

SCHEMBL4333862

CC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1c[nH]cn1)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)CNC(=O)C(N)CCC(=O)O)C(C)C)C(C)C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.53
▸ F2 P00734 4/20 0.53
▸ OPRM1 P35372 2/20 0.51
▸ OPRD1 P41143 2/20 0.51
▸ CALCR P30988 4/20 0.50
▸ REN P00797 2/20 0.50
▸ AGTR1 P30556 2/20 0.48
▸ AGTR2 P50052 2/20 0.48
▸ FCGRT P55899 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47

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
SCHEMBL4333867 1.00 C5AR1 (0.53) C5AR1F2OPRM1OPRD1CALCR
SCHEMBL31332308 0.89 REN (0.64) RENAGTR1AGTR2FCGRT
SCHEMBL30382780 0.86 F2 (0.57) C5AR1F2OPRM1OPRD1CALCR
SCHEMBL30724176 0.85 SLC6A2 (0.53) C5AR1F2OPRM1OPRD1CALCR
SCHEMBL29516309 0.85 OPRD1 (0.49) OPRM1OPRD1RENAGTR1AGTR2
SCHEMBL31169469 0.85 C5AR1 (0.61) C5AR1F2CALCR
SCHEMBL30683565 0.85 SLC6A2 (0.60) C5AR1OPRM1OPRD1RENAGTR1
SCHEMBL30383056 0.84 F2 (0.53) C5AR1F2OPRM1OPRD1REN
SCHEMBL29960236 0.84 SLC6A2 (0.60) C5AR1F2OPRM1OPRD1CALCR
SCHEMBL30567437 0.83 OPRM1 (0.56) C5AR1F2OPRM1OPRD1CALCR

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
US-7619217-B2 High power laser induced acoustic desorption probe PURDUE RESEARCH FOUNDATION (US) 2009-11-17 — — US disclosed
US-20070295902-A1 High power laser induced acoustic desorption probe PURDUE RESEARCH FOUNDATION (US) 2007-12-27 — — US disclosed
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