SCHEMBL21883069

SCHEMBL21883069

CC(C)C[C@@H](NC(O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(C)C)C(=O)N1CCCOCC1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 13/20 0.59
▸ REN P00797 6/20 0.51
▸ CTSS P25774 1/20 0.43

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
SCHEMBL21886333 0.90 OPRK1 (0.72) OPRK1REN
SCHEMBL11927500 0.90 OPRK1 (0.72) OPRK1REN
SCHEMBL24001142 0.88 OPRK1 (0.65) OPRK1CTSS
SCHEMBL20363365 0.88 OPRK1 (0.75) OPRK1REN
SCHEMBL11927499 0.84 OPRK1 (0.70) OPRK1REN
SCHEMBL26648563 0.83 OPRK1 (0.61) OPRK1REN
SCHEMBL11927488 0.83 OPRK1 (0.69) OPRK1
SCHEMBL24360600 0.82 OPRK1 (0.63) OPRK1CTSS
SCHEMBL18413122 0.82 OPRK1 (0.74) OPRK1REN
SCHEMBL20363358 0.82 OPRK1 (0.73) OPRK1

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-2020056249-A1 ORAL FORMULATIONS OF KAPPA OPIOID RECEPTOR AGONISTS CARA THERAPEUTICS, INC. (US) 2020-03-19 — — WO disclosed
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