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SCHEMBL31462004

SCHEMBL31462004

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)CC)[C@@H](C)O)C(C)C)C(C)C)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 5/20 0.53
▸ MAPK8 P45983 1/20 0.52
▸ MAPK9 P45984 1/20 0.52
▸ MAPK10 P53779 1/20 0.52
▸ RAMP1 O60894 1/20 0.52
▸ CALCR P30988 4/20 0.51
▸ NPY2R P49146 7/20 0.51
▸ NPY4R P50391 7/20 0.51
▸ NPY5R Q15761 7/20 0.51
▸ NPY1R P25929 5/20 0.51
▸ GLP1R P43220 1/20 0.51
▸ GCGR P47871 1/20 0.51
▸ GIPR P48546 1/20 0.51
▸ CRHR1 P34998 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49

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
SCHEMBL31461944 0.97 CALCRL (0.53) CALCRLMAPK8MAPK9MAPK10RAMP1
SCHEMBL31462031 0.94 CALCRL (0.52) CALCRLMAPK8MAPK9MAPK10RAMP1
SCHEMBL31462111 0.92 CAPN1 (0.48) CALCRLMAPK8MAPK9MAPK10RAMP1
SCHEMBL31461967 0.92 CAPN1 (0.48) CALCRLMAPK8MAPK9MAPK10RAMP1
SCHEMBL31461948 0.92 NPY2R (0.51) CALCRLMAPK8MAPK9MAPK10CALCR
SCHEMBL31461850 0.92 NPY2R (0.51) CALCRLMAPK8MAPK9MAPK10CALCR
SCHEMBL31462015 0.92 CALCRL (0.51) CALCRLMAPK8MAPK9MAPK10CALCR
SCHEMBL31461899 0.92 CALCRL (0.51) CALCRLMAPK8MAPK9MAPK10CALCR
SCHEMBL31461915 0.91 CAPN1 (0.46) CALCRLMAPK8MAPK9MAPK10RAMP1
SCHEMBL31462026 0.90 MAPK8 (0.50) CALCRLMAPK8MAPK9MAPK10CALCR

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-20250113828-A1 METHOD OF USING/APPLYING A KERATIN HYDROLYSIS PEPTIDE SOLUTION TO IMPROVE THE FERTILIZER USAGE EFFICIENCY IN COTTON CH BIOTECH R&D CO., LTD. (TW) 2025-04-10 — — US disclosed
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