SCHEMBL31683361

SCHEMBL31683361

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CN)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 5/20 0.60
▸ F2 P00734 4/20 0.60
▸ GLP1R P43220 1/20 0.58
▸ RAMP1 O60894 1/20 0.58
▸ RAMP2 O60895 1/20 0.58
▸ RAMP3 O60896 1/20 0.58
▸ CALCRL Q16602 1/20 0.58
▸ C5AR1 P21730 1/20 0.58
▸ APLNR P35414 1/20 0.57
▸ CRHR1 P34998 1/20 0.57
▸ CRHR2 Q13324 1/20 0.57
▸ NPY2R P49146 6/20 0.57
▸ NPY4R P50391 6/20 0.57
▸ NPY5R Q15761 6/20 0.57
▸ NPY1R P25929 4/20 0.57

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
SCHEMBL30495758 0.89 CALCR (0.72) CALCRF2GLP1RCRHR1CRHR2
SCHEMBL31303836 0.89 CALCR (0.64) CALCRF2GLP1RRAMP1RAMP2
SCHEMBL29479776 0.88 MAPK8 (0.62) CALCRRAMP3NPY2RNPY4RNPY5R
SCHEMBL29679646 0.88 F2 (0.61) CALCRF2RAMP3APLNRNPY2R
SCHEMBL29822539 0.87 F2 (0.62) CALCRF2GLP1RAPLNRNPY2R
SCHEMBL30576952 0.87 C5AR1 (0.56) CALCRF2GLP1RC5AR1APLNR
SCHEMBL30906471 0.87 CALCR (0.66) CALCRF2RAMP3C5AR1CRHR1
SCHEMBL31182594 0.87 CALCR (0.68) CALCRGLP1RRAMP1RAMP2RAMP3
SCHEMBL31182518 0.87 CALCR (0.69) CALCRF2GLP1RRAMP1RAMP2
SCHEMBL29561573 0.87 CALCR (0.63) CALCRF2RAMP3C5AR1NPY2R

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-20250283037-A1 METHODS FOR STIMULATING AND TRANSDUCING T CELLS JUNO THERAPEUTICS GMBH (DE) 2025-09-11 — — US disclosed
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