SCHEMBL8624366

SCHEMBL8624366

CC(C)CC(N)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O)C(C)O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAMP3 O60896 8/20 0.50
CALCR P30988 8/20 0.50
OPRD1 P41143 3/20 0.48
OPRM1 P35372 2/20 0.48
OPRK1 P41145 2/20 0.48
KEAP1 Q14145 2/20 0.48
F2 P00734 1/20 0.47
NTSR2 O95665 1/20 0.46
NTSR1 P30989 1/20 0.46

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
SCHEMBL8624378 1.00 RAMP3 (0.50) RAMP3CALCROPRD1OPRM1OPRK1
SCHEMBL8624738 0.91 RAMP3 (0.51) RAMP3CALCROPRD1OPRM1KEAP1
SCHEMBL8624746 0.91 RAMP3 (0.51) RAMP3CALCROPRD1OPRM1KEAP1
SCHEMBL8643257 0.91 KEAP1 (0.47) RAMP3CALCRKEAP1
SCHEMBL8643264 0.91 KEAP1 (0.47) RAMP3CALCRKEAP1
SCHEMBL30242243 0.91 CXCR4 (0.53) RAMP3CALCROPRD1OPRM1OPRK1
SCHEMBL30335608 0.88 KEAP1 (0.49) RAMP3CALCRKEAP1
SCHEMBL26186023 0.88 KEAP1 (0.49) RAMP3CALCRKEAP1
SCHEMBL26186082 0.88 KEAP1 (0.49) RAMP3CALCRKEAP1
SCHEMBL30449622 0.88 KEAP1 (0.48) RAMP3CALCRKEAP1

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-5786205-A ISOLATED PURIFIED DNA ENCODING A POLYPEPTIDE BACTERICIDE FOR TREATING GRAMPOSITIVE BACTERIA INFECTION THE ROCKEFELLER UNIVERSITY (US) 1998-07-28 US disclosed
US-5616686-A INCLUDING A SEQUENCE OF AMINO ACIDS CORRESPONDING TO THAT RESPONSIBLE FOR ANCHORING A VIRULENCE DETERMINANT PROTEIN TO THE SURFACE OF A GRAMPOSITIVE COCCAL BACTERIA THE ROCKEFELLER UNIVERSITY (US) 1997-04-01 US disclosed