SCHEMBL30483972

SCHEMBL30483972

CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)CC)C(=O)N[C@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ENPEP Q07075 5/20 0.49
▸ BACE1 P56817 1/20 0.48
▸ TASP1 Q9H6P5 1/20 0.47
▸ VIPR2 P41587 6/20 0.46
▸ VIPR1 P32241 4/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.45
▸ NPY4R P50391 3/20 0.44
▸ KISS1R Q969F8 2/20 0.44
▸ NPY1R P25929 2/20 0.44
▸ NPY2R P49146 2/20 0.44
▸ NPY5R Q15761 2/20 0.44

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
SCHEMBL30879458 0.98 BACE1 (0.47) ENPEPBACE1TASP1VIPR2VIPR1
SCHEMBL30879453 0.94 NPY4R (0.48) ENPEPBACE1TASP1VIPR2VIPR1
SCHEMBL30483984 0.93 RXFP1 (0.46) ENPEPBACE1TASP1VIPR2VIPR1
SCHEMBL30912040 0.93 RXFP1 (0.50) ENPEPBACE1VIPR2VIPR1RXFP1
SCHEMBL30912047 0.93 RXFP1 (0.49) ENPEPBACE1VIPR2VIPR1RXFP1
SCHEMBL30912039 0.93 RXFP1 (0.50) ENPEPBACE1VIPR2VIPR1RXFP1
SCHEMBL31318575 0.90 VIPR1 (0.53) BACE1TASP1VIPR2VIPR1RXFP1
SCHEMBL4515920 0.90 ENPEP (0.48) ENPEPBACE1VIPR2VIPR1NPY4R
SCHEMBL4515922 0.90 ENPEP (0.48) ENPEPBACE1VIPR2VIPR1NPY4R
SCHEMBL30739155 0.90 ENPEP (0.52) ENPEPBACE1TASP1VIPR2VIPR1

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
US-20230126533-A1 Method of treating an inflammatory disorder UNIVERSITY OF MIAMI 2023-04-27 — — US claimed
US-20240287153-A1 Treating Inflammatory Lung Disease THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2024-08-29 — — US disclosed
US-11993640-B2 Treating inflammatory lung disease THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2024-05-28 — — US disclosed
US-20230126533-A1 Method of treating an inflammatory disorder UNIVERSITY OF MIAMI 2023-04-27 — — US disclosed
Send feedback