SCHEMBL216009

SCHEMBL216009

NCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1OP(=O)(O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.60
P2RX2 Q9UBL9 1/20 0.60
RNASEL Q05823 5/20 0.59
DNPH1 O43598 3/20 0.59
TAS1R3 Q7RTX0 2/20 0.58
TAS1R1 Q7RTX1 2/20 0.58
ADORA1 P30542 2/20 0.56
PRKAB2 O43741 1/20 0.56
TRPM2 O94759 1/20 0.56
LDHA P00338 1/20 0.56
ADRB2 P07550 1/20 0.56
FBP1 P09467 1/20 0.56
SRC P12931 1/20 0.56
P2RY2 P41231 1/20 0.56
P2RY1 P47900 1/20 0.56
PRKAG1 P54619 1/20 0.56
PRKAA2 P54646 1/20 0.56
PDE4D Q08499 1/20 0.56
KCNH2 Q12809 1/20 0.56
PRKAA1 Q13131 1/20 0.56

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
SCHEMBL215730 0.94 P2RX3 (0.60) P2RX3P2RX2RNASELDNPH1TAS1R3
SCHEMBL216645 0.92 P2RX3 (0.70) P2RX3P2RX2RNASELDNPH1TAS1R3
SCHEMBL4820076 0.91 P2RX3 (0.71) P2RX3P2RX2RNASELDNPH1TAS1R3
SCHEMBL20705924 0.88 P2RX3 (0.72) P2RX3P2RX2RNASELDNPH1TAS1R3
SCHEMBL25698378 0.88 P2RX3 (0.72) P2RX3P2RX2RNASELDNPH1TAS1R3
SCHEMBL30853828 0.85 P2RX3 (0.82) P2RX3P2RX2RNASELDNPH1TAS1R3
SCHEMBL8738522 0.85 P2RX3 (0.82) P2RX3P2RX2RNASELDNPH1TAS1R3
SCHEMBL4217929 0.85 P2RX3 (0.82) P2RX3P2RX2RNASELDNPH1TAS1R3
SCHEMBL4820592 0.85 DNPH1 (0.73) P2RX3P2RX2RNASELDNPH1TAS1R3
SCHEMBL15305350 0.85 P2RX3 (0.67) P2RX3P2RX2RNASELDNPH1TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4403042-A2 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME Mars, Incorporated (US) 2024-07-24 EP disclosed
EP-3229612-B1 USE OF FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS INC (US) 2024-06-26 EP disclosed
US-11185100-B2 Methods for modulating taste receptors MARS, INCORPORATED (US) 2021-11-30 US disclosed
EP-3229610-B1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS INC (US) 2021-06-09 EP disclosed
US-20190021380-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2019-01-24 US disclosed
US-20180255813-A1 METHODS FOR MODULATING TASTE RECEPTORS MARS, INCORPORATED (US) 2018-09-13 US disclosed
US-20180168208-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2018-06-21 US disclosed
US-8088897-B2 Detecting the activity of and screening acceptor substrates, inhibitors, or activators of enzymes catalyzing group transfer reactions to facilitate the development of more selective and therapeutic drugs BellBrook Labs, Inc. (US) 2012-01-03 US disclosed
US-20080233592-A1 Assay Method for Group Transfer Reactions BELLBROOK LABS, LLC 2008-09-25 US disclosed
US-7378505-B2 Assay method for group transfer reactions BELLBROOK LABS LLC (US) 2008-05-27 US disclosed
US-20060172335-A1 Assay method for group transfer reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-08-03 US disclosed