SCHEMBL5270902

SCHEMBL5270902

COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cccc(OC)c1N

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.68
TAS1R1 Q7RTX1 5/20 0.68
TAS1R2 Q8TE23 3/20 0.68
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
TDP1 Q9NUW8 1/20 0.61
POLB P06746 1/20 0.56
ATM Q13315 1/20 0.54
ALDH1A1 P00352 2/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL4262215 1.00 TAS1R3 (0.68) TAS1R3TAS1R1TAS1R2MEN1KMT2A
Hydrochloric Acid SCHEMBL4261765 0.99 TAS1R3 (0.67) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL5270953 0.98 TAS1R3 (0.66) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL4262863 0.94 TAS1R3 (0.59) TAS1R3TAS1R1TAS1R2MEN1KMT2A
Hydrochloric Acid SCHEMBL4259276 0.93 TAS1R3 (0.58) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL5923948 0.88 KMT2A (0.81) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL5275903 0.88 KMT2A (0.81) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL5275894 0.88 KMT2A (0.81) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL701117 0.81 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL5923959 0.81 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2MEN1KMT2A

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 claimed
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 claimed
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 claimed