SCHEMBL5322397

SCHEMBL5322397

O=C(NC1CCOc2ccccc21)c1cccc(Cl)c1O

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 12/20 0.67
TAS1R1 Q7RTX1 12/20 0.67
TAS1R2 Q8TE23 10/20 0.67
BRD4 O60885 2/20 0.53
CREBBP Q92793 2/20 0.53
ALDH1A1 P00352 1/20 0.50
P2RX7 Q99572 3/20 0.46

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
SCHEMBL5322392 1.00 TAS1R3 (0.67) TAS1R3TAS1R1TAS1R2BRD4CREBBP
SCHEMBL10226890 0.80 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL8919106 0.80 BRD4 (0.53) TAS1R3TAS1R1TAS1R2BRD4CREBBP
SCHEMBL701799 0.79 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2ALDH1A1P2RX7
SCHEMBL701854 0.78 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL701855 0.78 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL784603 0.78 ALDH1A1 (0.50) TAS1R3TAS1R1TAS1R2BRD4CREBBP
SCHEMBL784602 0.78 ALDH1A1 (0.50) TAS1R3TAS1R1TAS1R2BRD4CREBBP
SCHEMBL20860976 0.77 TAS1R3 (0.93) TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL27125516 0.77 TRPV1 (0.50) BRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101203142-A Aromatic amides and ureas and their uses as sweet and/or delicate flavor modifiers, flavouring agents and taste enhancers SENOMYX INC (US) 2008-06-18 CN disclosed
EP-1848289-A2 AROMATIC AMIDES AND UREAS AND THEIR USES AS SWEET AND/OR UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS Senomyx, Inc. (US) 2007-10-31 EP disclosed
WO-2006084246-A2 AROMATIC AMIDES AND UREAS AND THEIR USES AS SWEET AND/OR UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS SENOMYX, INC. (US) 2006-08-10 WO disclosed
US-20060045953-A1 Aromatic amides and ureas and their uses as sweet and/or umami flavor modifiers, tastants and taste enhancers SENOMYX, INC. 2006-03-02 US disclosed