SCHEMBL29379858

SCHEMBL29379858

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

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.49
▸ OPRK1 P41145 1/20 0.45
▸ NTSR2 O95665 1/20 0.42
▸ NTSR1 P30989 1/20 0.42

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
SCHEMBL30490569 0.93 ACE (0.50) ACEOPRK1NTSR2NTSR1
SCHEMBL30973972 0.93 ACE (0.50) ACEOPRK1NTSR2NTSR1
SCHEMBL30490558 0.89 ACE (0.50) ACEOPRK1
SCHEMBL30490571 0.88 ACE (0.47) ACE
SCHEMBL29666885 0.87 ACE (0.49) ACEOPRK1NTSR2NTSR1
SCHEMBL30173901 0.86 ACE (0.44) ACEOPRK1
SCHEMBL9551335 0.85 EPHA2 (0.46) ACEOPRK1
SCHEMBL30361563 0.84 NTSR2 (0.49) ACEOPRK1NTSR2NTSR1
SCHEMBL30490607 0.84 NTSR2 (0.49) ACEOPRK1NTSR2NTSR1
SCHEMBL30407242 0.84 CAPN1 (0.49) ACEOPRK1

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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