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Sugi Predict / Compounds / SCHEMBL29530620

SCHEMBL29530620

SCHEMBL29530620

C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)[C@@H](C)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49
▸ CALCR P30988 4/20 0.48
▸ HCRTR1 O43613 1/20 0.47
▸ HCRTR2 O43614 1/20 0.47
▸ F2 P00734 4/20 0.47
▸ NPY2R P49146 4/20 0.46
▸ NPY4R P50391 4/20 0.46
▸ NPY5R Q15761 4/20 0.46
▸ NPY1R P25929 3/20 0.46
▸ CCKBR P32239 2/20 0.46
▸ GLP1R P43220 2/20 0.46
▸ C5AR1 P21730 1/20 0.46
▸ ITGB3 P05106 1/20 0.46
▸ ITGAV P06756 1/20 0.46

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
SCHEMBL29530459 0.95 CRHR1 (0.48) CRHR1CRHR2CALCRHCRTR1HCRTR2
SCHEMBL29530554 0.94 HCRTR1 (0.49) CRHR1CRHR2CALCRHCRTR1HCRTR2
SCHEMBL29530723 0.92 HCRTR1 (0.49) CRHR1CRHR2CALCRHCRTR1HCRTR2
SCHEMBL31683252 0.92 CALCR (0.51) CRHR1CRHR2CALCRHCRTR1HCRTR2
SCHEMBL31688321 0.92 CALCR (0.51) CRHR1CRHR2CALCRHCRTR1HCRTR2
SCHEMBL29531163 0.92 CRHR1 (0.50) CRHR1CRHR2CALCRHCRTR1HCRTR2
SCHEMBL29530579 0.92 CRHR1 (0.50) CRHR1CRHR2CALCRHCRTR1HCRTR2
SCHEMBL29530849 0.92 CRHR1 (0.50) CRHR1CRHR2CALCRHCRTR1HCRTR2
SCHEMBL29530837 0.92 CRHR1 (0.50) CRHR1CRHR2CALCRHCRTR1HCRTR2
SCHEMBL29530736 0.91 C5AR1 (0.50) CRHR1CRHR2CALCRHCRTR1HCRTR2

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
EP-4039710-B1 ANTI-CD3 ANTIBODIES, ANTI-CD123 ANTIBODIES AND BISPECIFIC ANTIBODIES SPECIFICALLY BINDING TO CD3 AND/OR CD123 SANOFI SA (FR) 2026-03-25 — — EP disclosed
EP-4039710-A2 ANTI-CD3 ANTIBODIES, ANTI-CD123 ANTIBODIES AND BISPECIFIC ANTIBODIES SPECIFICALLY BINDING TO CD3 AND/OR CD123 SANOFI (FR) 2022-08-10 — — EP disclosed
CN-114230668-A anti-CD 3 antibodies, anti-CD 123 antibodies, and bispecific antibodies that specifically bind to CD3 and/or CD123 赛诺菲 2022-03-25 — — CN disclosed
CN-114230667-A anti-CD 3 antibodies, anti-CD 123 antibodies, and bispecific antibodies that specifically bind to CD3 and/or CD123 赛诺菲 2022-03-25 — — CN disclosed
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