SCHEMBL30912044

SCHEMBL30912044

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.49
▸ VIPR2 P41587 6/20 0.47
▸ VIPR1 P32241 4/20 0.47
▸ GRIN2D O15399 1/20 0.47
▸ GRIN3B O60391 1/20 0.47
▸ GRIN1 Q05586 1/20 0.47
▸ GRIN2A Q12879 1/20 0.47
▸ GRIN2B Q13224 1/20 0.47
▸ GRIN2C Q14957 1/20 0.47
▸ GRIN3A Q8TCU5 1/20 0.47
▸ NPY4R P50391 6/20 0.46
▸ NPY1R P25929 5/20 0.46
▸ NPY2R P49146 4/20 0.46
▸ NPY5R Q15761 4/20 0.46
▸ BACE1 P56817 1/20 0.44
▸ PTH1R Q03431 1/20 0.44
▸ KEAP1 Q14145 1/20 0.43

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
SCHEMBL30912048 0.99 RXFP1 (0.50) RXFP1VIPR2VIPR1GRIN2DGRIN3B
SCHEMBL30912041 0.98 RXFP1 (0.48) RXFP1VIPR2VIPR1GRIN2DGRIN3B
SCHEMBL30912043 0.95 RXFP1 (0.49) RXFP1VIPR2VIPR1GRIN2DGRIN3B
SCHEMBL30912040 0.94 RXFP1 (0.50) RXFP1VIPR2VIPR1GRIN2DGRIN3B
SCHEMBL30912039 0.94 RXFP1 (0.50) RXFP1VIPR2VIPR1GRIN2DGRIN3B
SCHEMBL30483984 0.94 RXFP1 (0.46) RXFP1VIPR2VIPR1NPY4RNPY1R
SCHEMBL30912045 0.93 NPY4R (0.49) RXFP1VIPR2VIPR1GRIN2DGRIN3B
SCHEMBL30912047 0.93 RXFP1 (0.49) RXFP1VIPR2VIPR1GRIN2DGRIN3B
SCHEMBL8877920 0.89 GRIN2D (0.51) RXFP1VIPR2VIPR1GRIN2DGRIN3B
SCHEMBL30879458 0.88 BACE1 (0.47) RXFP1VIPR2VIPR1NPY4RNPY1R

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
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
Send feedback