SCHEMBL30429448

SCHEMBL30429448

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GALR2 O43603 2/20 0.62
▸ GALR1 P47211 2/20 0.62
▸ KISS1R Q969F8 4/20 0.55
▸ CALCA P06881 2/20 0.53
▸ GLP1R P43220 8/20 0.53
▸ GIPR P48546 6/20 0.53
▸ CCKBR P32239 2/20 0.52
▸ CXCL8 P10145 1/20 0.52

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
SCHEMBL30429667 0.91 NMBR (0.60) GALR2GALR1KISS1RCALCAGLP1R
SCHEMBL30429251 0.91 CALCA (0.62) GALR2GALR1CALCAGLP1R
SCHEMBL29973367 0.89 CXCL8 (0.62) GALR2GALR1GLP1RGIPRCXCL8
Galantide SCHEMBL31332196 0.89 IL23R (0.62) GALR2GALR1GLP1RGIPRCCKBR
SCHEMBL29973046 0.88 KISS1R (0.62) KISS1RGLP1R
SCHEMBL13613774 0.88 GALR2 (0.59) GALR2GALR1CALCAGLP1RGIPR
SCHEMBL30041162 0.86 CALCA (0.64) GALR2GALR1KISS1RCALCAGLP1R
SCHEMBL29972984 0.86 NPY1R (0.65) KISS1RCALCAGLP1RGIPRCXCL8
SCHEMBL29992945 0.86 CALCA (0.59) GALR2GALR1KISS1RCALCACXCL8
SCHEMBL31061583 0.86 GALR2 (0.65) GALR2GALR1GLP1RGIPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158115-A1 GAL(1-15) AND ANALOGUES THEREOF FOR USE IN THE PREVENTION AND/OR TREATMENT OF ALCOHOL-RELATED EFFECTS AND DISORDERS UNIVERSIDAD DE MÁLAGA (ES) 2023-05-25 — — US claimed
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