SCHEMBL29679999

SCHEMBL29679999

C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 5/20 0.55
▸ SLC6A2 P23975 1/20 0.53
▸ F2 P00734 1/20 0.51
▸ RAMP1 O60894 1/20 0.50
▸ AGTR1 P30556 1/20 0.50
▸ AGTR2 P50052 1/20 0.50
▸ BDKRB2 P30411 1/20 0.49
▸ ACE P12821 1/20 0.49
▸ KEAP1 Q14145 1/20 0.49

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
SCHEMBL29679507 0.95 SLC6A2 (0.61) CALCRLSLC6A2AGTR1AGTR2
SCHEMBL29680100 0.94 F2 (0.56) CALCRLSLC6A2F2RAMP1ACE
SCHEMBL29679939 0.92 SLC6A2 (0.57) CALCRLSLC6A2AGTR1AGTR2
SCHEMBL31415956 0.89 SLC6A2 (0.61) CALCRLSLC6A2F2RAMP1ACE
SCHEMBL29680141 0.88 NPY2R (0.57) CALCRLF2AGTR1AGTR2
SCHEMBL31575703 0.87 NTSR1 (0.60) SLC6A2
SCHEMBL31415946 0.87 SLC6A2 (0.63) CALCRLSLC6A2F2RAMP1ACE
SCHEMBL30658558 0.87 F2 (0.56) CALCRLSLC6A2F2ACE
SCHEMBL29698518 0.86 CALCRL (0.62) CALCRLSLC6A2RAMP1KEAP1
SCHEMBL30658583 0.86 F2 (0.58) CALCRLSLC6A2F2ACE

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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