SCHEMBL29845487

SCHEMBL29845487

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.52
NMUR2 Q9GZQ4 5/20 0.50
NMUR1 Q9HB89 5/20 0.50
F2 P00734 4/20 0.48
MC4R P32245 1/20 0.47
KISS1R Q969F8 1/20 0.47
RAMP3 O60896 3/20 0.47
CALCR P30988 3/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
MAPK10 P53779 1/20 0.47
CTSL P07711 1/20 0.47
CTSH P09668 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 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
SCHEMBL29844803 0.96 APLNR (0.53) APLNRNMUR2NMUR1F2MC4R
SCHEMBL29607035 0.95 APLNR (0.55) APLNRNMUR2NMUR1MC4RRAMP3
SCHEMBL29607754 0.95 APLNR (0.56) APLNRNMUR2NMUR1MC4RRAMP3
SCHEMBL29607506 0.95 APLNR (0.56) APLNRNMUR2NMUR1MC4RRAMP3
SCHEMBL29606819 0.94 APLNR (0.57) APLNRNMUR2NMUR1MC4RRAMP3
SCHEMBL31118878 0.93 APLNR (0.54) APLNRNMUR2NMUR1F2RAMP3
SCHEMBL31494290 0.93 CTSL (0.51) APLNRNMUR2NMUR1F2MC4R
SCHEMBL29607152 0.92 APLNR (0.55) APLNRMC4R
SCHEMBL29608111 0.92 APLNR (0.55) APLNRMC4R
SCHEMBL29608384 0.91 APLNR (0.56) APLNRMC4R

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115124594-A Active polypeptide and application thereof 国家林业和草原局泡桐研究开发中心 2022-09-30 CN claimed
CN-115124594-B Active polypeptide and application thereof 中国林业科学研究院经济林研究所 2023-04-28 CN disclosed
CN-115124594-B Active polypeptide and application thereof 中国林业科学研究院经济林研究所 2023-04-28 CN disclosed
CN-115124594-A Active polypeptide and application thereof 国家林业和草原局泡桐研究开发中心 2022-09-30 CN disclosed
CN-115124594-A Active polypeptide and application thereof 国家林业和草原局泡桐研究开发中心 2022-09-30 CN disclosed