SCHEMBL29975915

SCHEMBL29975915

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 18/20 0.57
▸ ERAP2 Q6P179 1/20 0.56
▸ MMP1 P03956 1/20 0.54
▸ MMP2 P08253 1/20 0.54
▸ MMP8 P22894 1/20 0.54

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
SCHEMBL31668916 0.93 KISS1R (0.59) KISS1RERAP2
SCHEMBL30469505 0.93 ERAP2 (0.58) KISS1RERAP2MMP1MMP2MMP8
SCHEMBL29975121 0.92 KISS1R (0.63) KISS1R
SCHEMBL30272517 0.92 KISS1R (0.66) KISS1R
SCHEMBL31484225 0.91 ERAP2 (0.57) KISS1RERAP2MMP1MMP2MMP8
SCHEMBL31232571 0.91 KISS1R (0.59) KISS1RERAP2
SCHEMBL29416090 0.91 KISS1R (0.65) KISS1R
SCHEMBL30469508 0.91 KISS1R (0.61) KISS1R
SCHEMBL31314991 0.91 KISS1R (0.61) KISS1RERAP2
SCHEMBL30544320 0.91 ERAP2 (0.61) KISS1RERAP2MMP1MMP2MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4308146-A1 MATERIALS AND METHODS FOR THE PREVENTION AND TREATMENT OF VIRAL DISEASES Oak Crest Institute of Science (US) 2024-01-24 — — EP disclosed
EP-4171746-A1 MATERIALS AND METHODS FOR THE PREVENTION AND TREATMENT OF VIRAL RESPIRATORY DISEASES Oak Crest Institute of Science (US) 2023-05-03 — — EP disclosed
WO-2022232275-A1 MATERIALS AND METHODS FOR THE PREVENTION AND TREATMENT OF VIRAL DISEASES OAK CREST INSTITUTE OF SCIENCE (US) 2022-11-03 — — WO disclosed
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