SCHEMBL5320931

SCHEMBL5320931

Cc1cccc2c1CN(C(=O)Nc1ccc3c(c1)OCO3)C2

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.65
SMN1; SMN2 Q16637 6/20 0.58
NPC1 O15118 6/20 0.56
RAB9A P51151 5/20 0.56
MAPT P10636 5/20 0.56
HTT P42858 3/20 0.56
TP53 P04637 1/20 0.55
HPGD P15428 1/20 0.55
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 2/20 0.52
TSHR P16473 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.49

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
SCHEMBL702096 0.86 NAMPT (0.84) NAMPTSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3698742 0.79 NAMPT (1.00) NAMPTSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL15029231 0.72 TRAP1 (0.49) NAMPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL5923951 0.72 TAS1R3 (0.61) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL3704676 0.72 NAMPT (1.00) NAMPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3634459 0.72 RAB9A (0.67) NAMPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL25206736 0.71 NPC1 (0.58) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL5319230 0.71 TAS1R3 (0.52) NAMPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4647917 0.70 NPC1 (0.77) SMN1; SMN2NPC1RAB9AMAPTHTT
Hydrochloric Acid SCHEMBL5493447 0.70 SMN1; SMN2 (0.75) NAMPTSMN1; SMN2NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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