SCHEMBL29380139

SCHEMBL29380139

C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 3/20 0.54
▸ GNPAT O15228 1/20 0.54
▸ MME P08473 3/20 0.50
▸ OPRK1 P41145 1/20 0.49
▸ MMP2 P08253 1/20 0.48

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
SCHEMBL30579779 0.93 GNPAT (0.61) GHSRGNPATOPRK1MMP2
SCHEMBL30628702 0.92 GHSR (0.56) GHSRGNPATMMEMMP2
SCHEMBL29531757 0.92 GHSR (0.56) GHSRGNPATMMEMMP2
SCHEMBL1711230 0.92 GNPAT (0.62) GHSRGNPATOPRK1MMP2
SCHEMBL1711233 0.92 GNPAT (0.62) GHSRGNPATOPRK1MMP2
SCHEMBL1711453 0.92 GNPAT (0.62) GHSRGNPATOPRK1MMP2
SCHEMBL1711458 0.92 GNPAT (0.62) GHSRGNPATOPRK1MMP2
SCHEMBL31254405 0.92 GNPAT (0.62) GHSRGNPATOPRK1MMP2
SCHEMBL29467398 0.90 GNPAT (0.55) GNPATOPRK1MMP2
SCHEMBL15862955 0.90 GNPAT (0.67) GNPATMME

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
US-20220128556-A1 METHODS OF DIAGNOSING DISEASE 4D Pharma Cork Limited (IE) 2022-04-28 — — US disclosed
CN-114040986-A Method of diagnosing disease 4D制药科克有限公司 2022-02-11 — — CN disclosed
EP-3947743-A1 METHODS OF DIAGNOSING DISEASE 4D Pharma Cork Limited (IE) 2022-02-09 — — EP disclosed
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