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Sugi Predict / Compounds / SCHEMBL30950135

SCHEMBL30950135

SCHEMBL30950135

CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O)[C@@H](C)O)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 5/20 0.57
▸ C5AR1 P21730 2/20 0.56
▸ APLNR P35414 1/20 0.54
▸ MAPK8 P45983 1/20 0.53
▸ MAPK9 P45984 1/20 0.53
▸ MAPK10 P53779 1/20 0.53
▸ RAMP1 O60894 1/20 0.52
▸ RAMP2 O60895 1/20 0.52
▸ RAMP3 O60896 1/20 0.52
▸ CALCRL Q16602 1/20 0.52
▸ CRHR1 P34998 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ NPY2R P49146 6/20 0.52
▸ NPY4R P50391 6/20 0.52
▸ NPY5R Q15761 6/20 0.52
▸ NPY1R P25929 4/20 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
SCHEMBL29546394 0.95 CALCR (0.56) CALCRC5AR1APLNRMAPK8MAPK9
SCHEMBL29828490 0.90 C5AR1 (0.56) CALCRC5AR1APLNRMAPK8MAPK9
SCHEMBL29949425 0.88 CALCR (0.67) CALCRRAMP1RAMP2RAMP3CALCRL
SCHEMBL118957 0.88 MAPK8 (0.60) CALCRMAPK8MAPK9MAPK10RAMP1
SCHEMBL31182765 0.88 CALCR (0.62) CALCRAPLNRMAPK8MAPK9MAPK10
SCHEMBL30495724 0.87 CALCR (0.66) CALCRAPLNRCRHR1CRHR2NPY2R
Dirucotide SCHEMBL29405337 0.87 AGTR2 (0.63) CALCRC5AR1CRHR1CRHR2
SCHEMBL29903338 0.87 F2 (0.62) CALCRAPLNRMAPK8MAPK9MAPK10
SCHEMBL29972922 0.86 MAPK8 (0.53) CALCRC5AR1MAPK8MAPK9MAPK10
SCHEMBL31182592 0.86 C5AR1 (0.68) C5AR1NPY2RNPY4RNPY5RNPY1R

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
EP-3565585-B1 THERAPEUTIC METHOD USING DOSE ESCALATION PROTOCOL FOR TOLEROGENIC PEPTIDES WORG PHARMACEUTICALS ZHEJIANG CO LTD (CN) 2024-11-13 — — EP disclosed
EP-3565570-B1 COMPOSITION WORG PHARMACEUTICALS ZHEJIANG CO LTD (CN) 2024-07-03 — — EP disclosed
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