SCHEMBL3100946

SCHEMBL3100946

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.47
▸ OPRD1 P41143 4/20 0.47
▸ NPY1R P25929 1/20 0.42
▸ NPY2R P49146 1/20 0.42
▸ NPY4R P50391 1/20 0.42
▸ BACE1 P56817 1/20 0.41
▸ BACE2 Q9Y5Z0 1/20 0.41
▸ IL1RN P18510 3/20 0.41
▸ ERAP2 Q6P179 3/20 0.41
▸ FOLH1 Q04609 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ ANPEP P15144 2/20 0.41
▸ LNPEP Q9UIQ6 2/20 0.41
▸ ERAP1 Q9NZ08 1/20 0.40
▸ ACE P12821 1/20 0.40
▸ MME P08473 3/20 0.40
▸ GLP1R P43220 1/20 0.39
▸ SCTR P47872 1/20 0.39

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
SCHEMBL3100933 1.00 OPRM1 (0.47) OPRM1OPRD1NPY1RNPY2RNPY4R
SCHEMBL29815391 0.86 NPY4R (0.51) OPRM1OPRD1NPY1RNPY2RNPY4R
SCHEMBL5699005 0.85 BACE1 (0.49) NPY1RNPY2RNPY4RBACE1BACE2
SCHEMBL5699001 0.85 BACE1 (0.49) NPY1RNPY2RNPY4RBACE1BACE2
SCHEMBL29531471 0.85 ACE (0.47) OPRD1NPY1RNPY2RNPY4RFOLH1
SCHEMBL30505408 0.85 BACE1 (0.54) NPY1RNPY2RNPY4RBACE1BACE2
SCHEMBL29629478 0.84 LNPEP (0.44) OPRM1OPRD1NPY1RNPY2RNPY4R
SCHEMBL4935995 0.84 OPRM1 (0.42) OPRM1OPRD1BACE1IL1RNERAP2
SCHEMBL5526723 0.84 OPRM1 (0.42) OPRM1OPRD1BACE1IL1RNERAP2
SCHEMBL30799304 0.84 NPY4R (0.51) OPRM1NPY1RNPY2RNPY4RIL1RN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210113-B1 METHODS FOR THE DETECTION OF GLYCATED HEMOGLOBIN SIEMENS HEALTHCARE DIAGNOSTICS (US) 2015-05-27 — — EP claimed
US-8715942-B2 Methods for the detection of glycated hemoglobin SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2014-05-06 — — US claimed
WO-2009067421-A9 METHODS FOR THE DETECTION OF GLYCATED HEMOGLOBIN SIEMENS HEATHCARE DIAGNOSTICS INC. (US) 2010-11-11 — — WO claimed
US-20100273181-A1 METHODS FOR THE DETECTION OF GLYCATED HEMOGLOBIN SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2010-10-28 — — US claimed
EP-2210113-A1 METHODS FOR THE DETECTION OF GLYCATED HEMOGLOBIN Siemens Healthcare Diagnostics Inc. (US) 2010-07-28 — — EP claimed
WO-2009067421-A1 METHODS FOR THE DETECTION OF GLYCATED HEMOGLOBIN SIEMENS HEATHCARE DIAGNOSTICS INC. (US) 2009-05-28 — — WO claimed
EP-2210113-B1 METHODS FOR THE DETECTION OF GLYCATED HEMOGLOBIN SIEMENS HEALTHCARE DIAGNOSTICS (US) 2015-05-27 — — EP disclosed
US-8715942-B2 Methods for the detection of glycated hemoglobin SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2014-05-06 — — US disclosed
WO-2009067421-A9 METHODS FOR THE DETECTION OF GLYCATED HEMOGLOBIN SIEMENS HEATHCARE DIAGNOSTICS INC. (US) 2010-11-11 — — WO disclosed
US-20100273181-A1 METHODS FOR THE DETECTION OF GLYCATED HEMOGLOBIN SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2010-10-28 — — US disclosed
EP-2210113-A1 METHODS FOR THE DETECTION OF GLYCATED HEMOGLOBIN Siemens Healthcare Diagnostics Inc. (US) 2010-07-28 — — EP disclosed
WO-2009067421-A1 METHODS FOR THE DETECTION OF GLYCATED HEMOGLOBIN SIEMENS HEATHCARE DIAGNOSTICS INC. (US) 2009-05-28 — — WO disclosed
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