SCHEMBL30997464

SCHEMBL30997464

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.60
▸ CALCR P30988 7/20 0.58
▸ RAMP3 O60896 3/20 0.55
▸ NTSR1 P30989 1/20 0.54
▸ CRHR1 P34998 1/20 0.53
▸ CRHR2 Q13324 1/20 0.53
▸ C5AR1 P21730 1/20 0.53
▸ NPY2R P49146 5/20 0.53
▸ NPY4R P50391 5/20 0.53
▸ NPY5R Q15761 5/20 0.53
▸ NPY1R P25929 3/20 0.53
▸ REN P00797 1/20 0.53

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
SCHEMBL30824289 0.92 CALCR (0.63) F2CALCRNTSR1CRHR1CRHR2
SCHEMBL30209621 0.92 F2 (0.60) F2CALCRNTSR1REN
SCHEMBL30176473 0.89 CALCR (0.64) F2CALCRCRHR1CRHR2C5AR1
SCHEMBL29758433 0.88 F2 (0.56) F2CALCRRAMP3NTSR1CRHR1
SCHEMBL30073937 0.88 F2 (0.62) F2CALCRRAMP3C5AR1NPY2R
SCHEMBL31373856 0.88 F2 (0.56) F2NTSR1C5AR1REN
SCHEMBL29593091 0.88 F2 (0.58) F2CALCRNTSR1CRHR1CRHR2
SCHEMBL31130616 0.87 MC4R (0.57) F2CALCRRAMP3NTSR1CRHR1
SCHEMBL30432045 0.87 CALCR (0.65) F2CALCRCRHR1CRHR2NPY2R
SCHEMBL38665584 0.87 CALCRL (0.60) NTSR1REN

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-20240230663-A1 METHODS, COMPOSITIONS, AND SYSTEMS FOR PROFILING OR PREDICTING AN IMMUNE RESPONSE AVAIL BIO INC (US) 2024-07-11 — — US disclosed
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