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SCHEMBL31281691

SCHEMBL31281691

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.61
▸ MAPK9 P45984 1/20 0.61
▸ MAPK10 P53779 1/20 0.61
▸ APLNR P35414 1/20 0.54
▸ SLC40A1 Q9NP59 1/20 0.51
▸ CALCR P30988 5/20 0.51
▸ GLP1R P43220 6/20 0.49
▸ GCGR P47871 6/20 0.49
▸ GIPR P48546 6/20 0.49
▸ RAMP1 O60894 1/20 0.49
▸ RAMP2 O60895 1/20 0.49
▸ RAMP3 O60896 1/20 0.49
▸ CALCRL Q16602 1/20 0.49
▸ HCRTR1 O43613 1/20 0.49
▸ HCRTR2 O43614 1/20 0.49
▸ CRHR1 P34998 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ C5AR1 P21730 1/20 0.47
▸ EPHA2 P29317 1/20 0.47
▸ CTSL P07711 1/20 0.47

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
SCHEMBL31281747 0.93 MAPK8 (0.60) MAPK8MAPK9MAPK10APLNRCALCR
SCHEMBL29812583 0.87 CALCR (0.62) MAPK8MAPK9MAPK10CALCRGLP1R
SCHEMBL29812696 0.87 CALCR (0.60) MAPK8MAPK9MAPK10APLNRCALCR
SCHEMBL30777525 0.86 APLNR (0.63) MAPK8MAPK9MAPK10APLNRC5AR1
SCHEMBL29416061 0.86 MAPK8 (0.63) MAPK8MAPK9MAPK10APLNRSLC40A1
SCHEMBL30688077 0.85 MAPK8 (0.59) MAPK8MAPK9MAPK10EPHA2
SCHEMBL31303836 0.85 CALCR (0.64) APLNRCALCRGLP1RRAMP1RAMP2
SCHEMBL31281843 0.85 C5AR1 (0.53) MAPK8MAPK9MAPK10APLNRCALCR
SCHEMBL30880879 0.85 APLNR (0.66) MAPK8MAPK9MAPK10APLNRCALCR
SCHEMBL31280950 0.84 MAPK8 (0.53) MAPK8MAPK9MAPK10CALCRLEPHA2

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-4722227-A1 COMPLEX, PHARMACEUTICAL COMPOSITION, VACCINE, AND APPLICATIONS THEREOF ENU Pharma, Inc. (JP) 2026-04-08 — — EP disclosed
WO-2024241964-A1 COMPLEX, PHARMACEUTICAL COMPOSITION, VACCINE, AND APPLICATIONS THEREOF 遠友ファーマ株式会社 2024-11-28 — — WO disclosed
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