SCHEMBL29415081

SCHEMBL29415081

CC(C)(S)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CO)C(=O)N[C@H](CCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 9/20 0.48
▸ NPY1R P25929 6/20 0.48
▸ NPY2R P49146 4/20 0.48
▸ NPY5R Q15761 4/20 0.48
▸ KISS1R Q969F8 7/20 0.47
▸ IL23R Q5VWK5 3/20 0.47
▸ TFPI P10646 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
SCHEMBL29415051 1.00 NPY4R (0.48) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL29415097 0.99 NPY4R (0.47) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL29415134 0.97 NPY4R (0.51) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL29415089 0.95 IL23R (0.52) KISS1RIL23RTFPI
SCHEMBL29415085 0.95 IL23R (0.52) KISS1RIL23RTFPI
SCHEMBL29415094 0.95 IL23R (0.52) KISS1RIL23RTFPI
SCHEMBL29415069 0.93 KISS1R (0.49) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL29415056 0.93 KISS1R (0.53) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL29415169 0.93 IL23R (0.54) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL29415128 0.93 IL23R (0.54) NPY4RNPY1RNPY2RNPY5RKISS1R

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4214220-A1 ANTIMICROBIAL PEPTIDOMIMETICS Spexis AG (CH) 2023-07-26 — — EP claimed
WO-2022028737-A1 ANTIMICROBIAL PEPTIDOMIMETICS POLYPHOR AG (CH) 2022-02-10 — — WO claimed
EP-4214220-A1 ANTIMICROBIAL PEPTIDOMIMETICS Spexis AG (CH) 2023-07-26 — — EP disclosed
WO-2022028737-A1 ANTIMICROBIAL PEPTIDOMIMETICS POLYPHOR AG (CH) 2022-02-10 — — WO disclosed
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