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SCHEMBL29827711

SCHEMBL29827711

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.55
▸ CRHR2 Q13324 1/20 0.55
▸ CALCR P30988 4/20 0.54
▸ GLP1R P43220 10/20 0.53
▸ F2 P00734 2/20 0.51
▸ HCRTR1 O43613 1/20 0.51
▸ HCRTR2 O43614 1/20 0.51

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
SCHEMBL30524358 0.92 GLP1R (0.62) CRHR1CRHR2CALCRGLP1R
SCHEMBL30824293 0.91 CALCR (0.59) CRHR1CRHR2CALCRGLP1RHCRTR1
SCHEMBL31182926 0.91 CRHR1 (0.54) CRHR1CRHR2CALCRGLP1RHCRTR1
SCHEMBL29649197 0.91 CALCR (0.60) CRHR1CRHR2CALCRGLP1RF2
SCHEMBL29797050 0.90 GLP1R (0.53) CRHR1CRHR2CALCRGLP1RF2
SCHEMBL30436811 0.90 GLP1R (0.56) CRHR1CRHR2CALCRGLP1RF2
SCHEMBL29625325 0.90 CALCR (0.55) CRHR1CRHR2CALCRGLP1RF2
SCHEMBL30262038 0.89 F2 (0.62) CRHR1CRHR2CALCRGLP1RF2
SCHEMBL31182682 0.89 PTH1R (0.60) CRHR1CRHR2CALCRGLP1R
SCHEMBL29794243 0.89 GLP1R (0.52) CALCRGLP1RF2

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
CN-112391327-B Engineering bacterium for co-production of geraniol and nerol and construction method and application thereof 中国农业科学院烟草研究所 2022-08-05 — — CN disclosed
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