SCHEMBL9058969

SCHEMBL9058969

CSCCC(NC(=O)C(NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(N)CC(=O)O)C(C)C)C(C)C)C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)O)C(C)O

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 2/20 0.52
▸ GCGR P47871 1/20 0.52
▸ GIPR P48546 1/20 0.52
▸ RXFP1 Q9HBX9 5/20 0.51
▸ VIPR1 P32241 1/20 0.50
▸ TFPI P10646 1/20 0.50
▸ CCKBR P32239 1/20 0.49
▸ PTH1R Q03431 1/20 0.49
▸ OPRL1 P41146 1/20 0.48
▸ VIPR2 P41587 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
SCHEMBL9058977 1.00 GLP1R (0.52) GLP1RGCGRGIPRRXFP1VIPR1
SCHEMBL16055575 0.91 RXFP1 (0.48) GLP1RGCGRGIPRRXFP1TFPI
SCHEMBL29901573 0.91 GLP1R (0.51) GLP1RGCGRGIPRRXFP1VIPR1
SCHEMBL30974514 0.90 TFPI (0.54) RXFP1VIPR1TFPIPTH1R
SCHEMBL30495729 0.90 TFPI (0.51) GLP1RGCGRGIPRRXFP1VIPR1
SCHEMBL30159188 0.90 PTH1R (0.57) GLP1RRXFP1VIPR1CCKBRPTH1R
SCHEMBL30804668 0.90 OPRL1 (0.49) GLP1RGCGRGIPRRXFP1VIPR1
SCHEMBL31319519 0.89 OPRM1 (0.46) GLP1RGCGRGIPRRXFP1TFPI
SCHEMBL30432139 0.88 RXFP1 (0.58) GLP1RRXFP1VIPR1TFPICCKBR
SCHEMBL31462925 0.88 VIPR1 (0.51) GLP1RGCGRGIPRVIPR1TFPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996018646-A2 HEAT SHOCK PROTEIN PEPTIDES AND METHODS FOR MODULATING AUTOIMMUNE CENTRAL NERVOUS SYSTEM DISEASE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1996-06-20 — — WO disclosed
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