SCHEMBL29392282

SCHEMBL29392282

CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 5/20 0.58
▸ RAMP1 O60894 1/20 0.57
▸ OPRM1 P35372 4/20 0.55
▸ OPRD1 P41143 4/20 0.55
▸ SLC6A2 P23975 1/20 0.51
▸ PSMB9 P28065 1/20 0.48

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
SCHEMBL30186430 0.95 CALCRL (0.61) CALCRLRAMP1OPRM1OPRD1
SCHEMBL29392795 0.92 CALCRL (0.55) CALCRLRAMP1OPRM1OPRD1PSMB9
SCHEMBL29392890 0.91 CALCRL (0.56) CALCRLRAMP1OPRM1OPRD1
SCHEMBL29392543 0.91 CALCRL (0.54) CALCRLRAMP1OPRM1OPRD1SLC6A2
SCHEMBL30186556 0.90 CALCRL (0.55) CALCRLRAMP1OPRM1OPRD1
SCHEMBL29392539 0.89 CALCRL (0.56) CALCRLRAMP1OPRM1OPRD1
SCHEMBL29743018 0.87 CALCRL (0.63) CALCRLRAMP1OPRM1OPRD1SLC6A2
SCHEMBL30186419 0.87 CALCRL (0.58) CALCRLRAMP1OPRM1OPRD1
SCHEMBL29579489 0.86 CALCRL (0.64) CALCRLRAMP1OPRM1OPRD1SLC6A2
SCHEMBL29391626 0.84 CALCRL (0.53) CALCRLRAMP1OPRM1OPRD1SLC6A2

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
EP-3952991-A1 RUSALATIDE ACETATE COMPOSITIONS Affirmed Pharma, LLC (US) 2022-02-16 — — EP claimed
Send feedback