SCHEMBL3138301

SCHEMBL3138301

CC(C)CC(NC(=O)C(N)CCCNC(=N)N)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 16/20 0.58
NPY1R P25929 10/20 0.58
NPY5R Q15761 8/20 0.58
NPY2R P49146 6/20 0.58
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL30958046 1.00 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2RALDH1A1
SCHEMBL29531992 1.00 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2RALDH1A1
SCHEMBL29794924 1.00 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2RALDH1A1
SCHEMBL3138312 1.00 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2RALDH1A1
SCHEMBL29655324 0.97 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2RALDH1A1
Acetic Acid SCHEMBL9189488 0.97 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2RALDH1A1
Acetic Acid SCHEMBL9189505 0.97 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2RALDH1A1
SCHEMBL29947104 0.97 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2RALDH1A1
SCHEMBL27639946 0.97 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2RALDH1A1
SCHEMBL31601685 0.96 NPY4R (0.63) NPY4RNPY1RNPY5RNPY2R

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3478121-A1 METHOD FOR SAMPLING GINGIVAL METABOLITES The Procter and Gamble Company (US) 2019-05-08 EP claimed
CN-109414109-A Method for sampling gums metabolin 宝洁公司 2019-03-01 CN claimed
US-9964472-B2 Methods for sampling gingival metabolites THE PROCTER & GAMBLE COMPANY (US) 2018-05-08 US claimed
US-20180003598-A1 METHODS FOR SAMPLING GINGIVAL METABOLITES THE PROCTER & GAMBLE COMPANY 2018-01-04 US claimed
WO-2018005335-A1 METHOD FOR SAMPLING GINGIVAL METABOLITES THE PROCTER & GAMBLE COMPANY (US) 2018-01-04 WO claimed
US-12449424-B2 In vitro method for detecting avian intestinal dysbiosis EVONIK OPERATIONS GMBH (DE) 2025-10-21 US disclosed
EP-3894863-B1 IN VITRO METHOD FOR DETECTING AVIAN INTESTINAL DYSBIOSIS EVONIK OPERATIONS GMBH (DE) 2022-11-23 EP disclosed
US-20220050115-A1 IN VITRO METHOD FOR DETECTING AVIAN INTESTINAL DYSBIOSIS EVONIK OPERATIONS GMBH (DE) 2022-02-17 US disclosed
US-20220050115-A1 IN VITRO METHOD FOR DETECTING AVIAN INTESTINAL DYSBIOSIS EVONIK OPERATIONS GMBH (DE) 2022-02-17 US disclosed
EP-3894863-A1 IN VITRO METHOD FOR DETECTING AVIAN INTESTINAL DYSBIOSIS Evonik Operations GmbH (DE) 2021-10-20 EP disclosed
CN-113167803-A In-vitro detection method for poultry intestinal dysbiosis 赢创运营有限公司 2021-07-23 CN disclosed
WO-2020120376-A1 IN VITRO METHOD FOR DETECTING AVIAN INTESTINAL DYSBIOSIS EVONIK OPERATIONS GMBH (DE) 2020-06-18 WO disclosed
US-20140296134-A1 METHODS AND USES FOR METABOLIC PROFILING FOR CLOSTRIDIUM DIFFICILE INFECTION THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-10-02 US disclosed
EP-2776829-A1 METHODS AND USES FOR METABOLIC PROFILING FOR CLOSTRIDIUM DIFFICILE INFECTION The Board of Regents of The University of Texas System (US) 2014-09-17 EP disclosed
WO-2013070962-A1 METHODS AND USES FOR METABOLIC PROFILING FOR CLOSTRIDIUM DIFFICILE INFECTION THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-16 WO disclosed
US-7846902-B2 Dipeptide-comprising composition for oral administration KYOWA HAKKO BIO CO., LTD. (JP) 2010-12-07 US disclosed
US-20100075017-A1 SALTY TASTE ENHANCER, FOOD OR DRINK AND METHOD FOR PRODUCING FOOD OR DRINK HIROSHIMA UNIVERSITY (JP) 2010-03-25 US disclosed
US-20080305151-A1 Dipeptide-Comprising Composition for Oral Administration KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-12-11 US disclosed
EP-1941896-A1 DIPEPTIDE-CONTAINING COMPOSITION FOR ORAL ADMINISTRATION KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-07-09 EP disclosed
US-4631270-A THIOMETHYLENE REPLACEMENTS RESEARCH CORPORATION (US) 1986-12-23 US disclosed