SCHEMBL29679654

SCHEMBL29679654

C[C@@H](O)[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.51
▸ OPRD1 P41143 3/20 0.51
▸ OPRK1 P41145 1/20 0.48
▸ QRFPR Q96P65 1/20 0.48
▸ KISS1R Q969F8 3/20 0.48
▸ CHRNA1 P02708 1/20 0.48
▸ CHRNG P07510 1/20 0.48
▸ CHRNB1 P11230 1/20 0.48
▸ CHRND Q07001 1/20 0.48
▸ F2 P00734 2/20 0.48
▸ NPY1R P25929 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ NPY4R P50391 1/20 0.47
▸ ACE P12821 1/20 0.46
▸ IL23R Q5VWK5 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
SCHEMBL30063959 0.92 CHRNA1 (0.52) OPRM1OPRD1OPRK1CHRNA1CHRNG
SCHEMBL31257978 0.91 OPRD1 (0.57) OPRM1OPRD1OPRK1KISS1RACE
SCHEMBL31243871 0.87 OPRD1 (0.65) OPRM1OPRD1OPRK1KISS1R
SCHEMBL31228813 0.87 OPRM1 (0.52) OPRM1OPRD1OPRK1KISS1R
SCHEMBL31243866 0.86 OPRD1 (0.56) OPRM1OPRD1OPRK1KISS1R
SCHEMBL31243893 0.86 OPRD1 (0.56) OPRM1OPRD1OPRK1KISS1R
SCHEMBL31366752 0.86 OPRM1 (0.55) OPRM1OPRD1OPRK1KISS1R
SCHEMBL31243930 0.85 OPRD1 (0.65) OPRM1OPRD1OPRK1KISS1R
SCHEMBL31031570 0.85 KISS1R (0.60) OPRM1OPRD1OPRK1KISS1RIL23R
SCHEMBL30668161 0.85 OPRD1 (0.64) OPRM1OPRD1OPRK1QRFPR

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-2022069704-A2 IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE) 2022-04-07 — — WO disclosed
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