SCHEMBL3406325

SCHEMBL3406325

N=C(N)NCCC[C@H](N)C(=O)OC(=O)OC(=O)[C@@H](N)CCCNC(=N)N.[CaH2].[CaH2]

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 9/20 0.37
NPY1R P25929 6/20 0.37
DPP7 Q9UHL4 2/20 0.36
OTC P00480 1/20 0.36
ALOX15 P16050 1/20 0.35
NPY2R P49146 4/20 0.34
NPY5R Q15761 4/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DDAH1 O94760 1/20 0.34
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL15891 0.98 NPY4R (0.38) NPY4RNPY1RDPP7OTCALOX15
SCHEMBL28712062 0.92 NPY4R (0.39) NPY4RNPY1RDPP7OTCALOX15
SCHEMBL9237239 0.92 NPY4R (0.39) NPY4RNPY1RDPP7OTCALOX15
SCHEMBL288133 0.92 NPY4R (0.39) NPY4RNPY1RDPP7OTCALOX15
Hydrochloric Acid SCHEMBL8039440 0.90 NPY4R (0.38) NPY4RNPY1RDPP7OTCALOX15
SCHEMBL7061485 0.90 NPY4R (0.38) NPY4RNPY1RDPP7OTCALOX15
Hydrochloric Acid SCHEMBL8040222 0.90 NPY4R (0.38) NPY4RNPY1RDPP7OTCALOX15
SCHEMBL16194087 0.90 NPY4R (0.38) NPY4RNPY1RDPP7OTCALOX15
SCHEMBL27606498 0.89 NPY4R (0.38) NPY4RNPY1RDPP7OTCALOX15
SCHEMBL27722340 0.87 NPY4R (0.37) NPY4RNPY1RDPP7OTCALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6217851-B1 MIXTURE OF CALCIUM, ARGININE AND BICARBONATE THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2001-04-17 US claimed
EP-4355434-A1 ORAL CARE COMPOSITIONS COMPRISING HYDROXYAPATITE Colgate-Palmolive Company (US) 2024-04-24 EP disclosed
CN-117794506-A Oral care compositions comprising hydroxyapatite 高露洁-棕榄公司 2024-03-29 CN disclosed
CN-112334197-B Dentifrice comprising carboxylic acid or alkali metal salt thereof and free fluoride source 葛兰素史克消费者保健(英国)知识产权有限公司 2023-10-10 CN disclosed
CN-111201008-B Dentifrice composition 葛兰素史克消费者保健(英国)知识产权有限公司 2023-08-11 CN disclosed
US-20230045410-A1 Oral Care Compositions COLGATE-PALMOLIVE COMPANY (US) 2023-02-09 US disclosed
WO-2023003948-A1 ORAL CARE COMPOSITIONS COMPRISING HYDROXYAPATITE COLGATE-PALMOLIVE COMPANY (US) 2023-01-26 WO disclosed
EP-3082719-B1 DENTIFRICE COMPOSITION COMPRISING SPHERICAL FUSED ALUMNIUM OXIDE PARTICLES GlaxoSmithKline Consumer Healthcare UK IP Ltd (GB) 2022-03-23 EP disclosed
US-11246809-B2 Composition GlaxosSmithKline Consumer Healthcare (UK) IP Limited (GB) 2022-02-15 US disclosed
EP-3817828-A1 DENTIFRICE COMPRISING CARBOXYLIC ACID OR ALKALI METAL SALT THEREOF AND A SOURCE OF FREE FLUORIDE IONS GlaxoSmithKline Consumer Healthcare (UK) IP Limited (GB) 2021-05-12 EP disclosed
CN-105939701-A Dentifrice composition comprising spherical fused aluminium oxide particles 葛兰素集团有限公司 2016-09-14 CN disclosed
US-20160228341-A1 Dentifrice Composition Comprising Sintered Hydroxyapatite GLAXO GROUP LIMITED (GB) 2016-08-11 US disclosed
EP-3049049-A1 DENTIFRICE COMPOSITION COMPRISING SINTERED HYDROXYAPATITE Glaxo Group Limited (GB) 2016-08-03 EP disclosed
EP-2249784-B1 ORAL CARE PRODUCT AND METHODS OF USE AND MANUFACTURE THEREOF COLGATE PALMOLIVE CO (US) 2016-06-29 EP disclosed
WO-2015140060-A1 NOVEL COMPOSITION GLAXO GROUP LIMITED (GB) 2015-09-24 WO disclosed
WO-2015091594-A1 DENTIFRICE COMPOSITION COMPRISING SPHERICAL FUSED ALUMINIUM OXIDE PARTICLES GLAXO GROUP LIMITED (GB) 2015-06-25 WO disclosed
WO-2015044156-A1 DENTIFRICE COMPOSITION COMPRISING SINTERED HYDROXYAPATITE GLAXO GROUP LIMITED (GB) 2015-04-02 WO disclosed
EP-2249784-A1 ORAL CARE PRODUCT AND METHODS OF USE AND MANUFACTURE THEREOF Colgate-Palmolive Company (US) 2010-11-17 EP disclosed
WO-2009099452-A1 ORAL CARE PRODUCT AND METHODS OF USE AND MANUFACTURE THEREOF COLGATE-PALMOLIVE COMPANY (US) 2009-08-13 WO disclosed
US-20090202451-A1 ORAL CARE PRODUCT AND METHODS OF USE AND MANUFACTURE THEREOF COLGATE-PALMOLIVE COMPANY (US) 2009-08-13 US disclosed