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Sugi Predict / Compounds / SCHEMBL29968139

SCHEMBL29968139

SCHEMBL29968139

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RAMP3 O60896 15/20 0.59
▸ CALCR P30988 15/20 0.59
▸ F2 P00734 4/20 0.56
▸ CXCR4 P61073 1/20 0.56

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
SCHEMBL31118841 0.97 RAMP3 (0.61) RAMP3CALCRF2CXCR4
SCHEMBL31118810 0.94 RAMP3 (0.61) RAMP3CALCRF2CXCR4
SCHEMBL31031602 0.90 F2 (0.59) RAMP3CALCRF2CXCR4
SCHEMBL30884598 0.90 RAMP3 (0.61) RAMP3CALCRF2CXCR4
SCHEMBL30884605 0.89 RAMP3 (0.59) RAMP3CALCR
SCHEMBL30063039 0.89 RAMP3 (0.60) RAMP3CALCR
SCHEMBL31514338 0.88 APLNR (0.60) RAMP3CALCRF2
SCHEMBL31307221 0.88 C5AR1 (0.57) RAMP3CALCRCXCR4
SCHEMBL29771673 0.88 NPY2R (0.65) RAMP3CALCRCXCR4
SCHEMBL30884597 0.88 C5AR1 (0.60) RAMP3CALCRCXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4304717-A1 USE OF NADOLOL TO TREAT CHRONIC OBSTRUCTIVE PULMONARY DISEASE BY BLOCKAGE OF THE ARRESTIN-2 PATHWAY Chronic Airway Therapeutics Limited (AU) 2024-01-17 — — EP disclosed
WO-2022192252-A1 USE OF NADOLOL TO TREAT CHRONIC OBSTRUCTIVE PULMONARY DISEASE BY BLOCKAGE OF THE ARRESTIN-2 PATHWAY CHRONIC AIRWAY THERAPEUTICS LIMITED (AU) 2022-09-15 — — WO disclosed
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