SCHEMBL8624746

SCHEMBL8624746

CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAMP3 O60896 15/20 0.51
CALCR P30988 15/20 0.51
CAPN1 P07384 2/20 0.48
KEAP1 Q14145 2/20 0.48
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45

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
SCHEMBL8624738 1.00 RAMP3 (0.51) RAMP3CALCRCAPN1KEAP1OPRM1
SCHEMBL8643264 0.94 KEAP1 (0.47) RAMP3CALCRKEAP1
SCHEMBL8643257 0.94 KEAP1 (0.47) RAMP3CALCRKEAP1
SCHEMBL8624366 0.91 RAMP3 (0.50) RAMP3CALCRKEAP1OPRM1OPRD1
SCHEMBL8624378 0.91 RAMP3 (0.50) RAMP3CALCRKEAP1OPRM1OPRD1
SCHEMBL8625474 0.90 CAPN1 (0.53) RAMP3CALCRCAPN1
SCHEMBL30335608 0.89 KEAP1 (0.49) RAMP3CALCRCAPN1KEAP1
SCHEMBL26186082 0.89 KEAP1 (0.49) RAMP3CALCRCAPN1KEAP1
SCHEMBL26186023 0.89 KEAP1 (0.49) RAMP3CALCRCAPN1KEAP1
SCHEMBL30449622 0.89 KEAP1 (0.48) RAMP3CALCRCAPN1KEAP1

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