SCHEMBL17833343

SCHEMBL17833343

Nc1ccc(-c2ccccc2)cc1C(=O)NCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.55
HIF1A Q16665 2/20 0.54
FAAH O00519 1/20 0.54
NPC1 O15118 5/20 0.54
RAB9A P51151 4/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
HDAC1 Q13547 1/20 0.48
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL5320191 0.82 NPC1 (0.67) HIF1ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17833243 0.81 MEN1 (0.49) HIF1AFAAHNPC1RAB9AMEN1
SCHEMBL13188439 0.77 IKBKB (0.67) IKBKBMEN1KMT2ARXFP1ALDH1A1
SCHEMBL13073425 0.77 HDAC2 (0.76) HIF1ANPC1RAB9AMEN1KMT2A
SCHEMBL25782291 0.76 ALOX15 (0.71) IKBKBNPC1RAB9AMEN1KMT2A
SCHEMBL15606117 0.75 HDAC1 (0.54) IKBKBALDH1A1HPGDHDAC1KDM4E
SCHEMBL15562157 0.75 KLKB1 (0.61) IKBKBHDAC1
SCHEMBL18632331 0.74 ROCK2 (0.53) IKBKBMEN1KMT2AROCK2ROCK1
SCHEMBL10133038 0.74 MEN1 (0.72) HIF1ANPC1RAB9AMEN1KMT2A
SCHEMBL8339590 0.74 MAPT (0.63) HIF1AFAAHNPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20180168208-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2018-06-21 US disclosed
WO-2016094702-A2 METHODS FOR MODULATING TASTE RECEPTORS MARS, INCORPORATED (US) 2016-06-16 WO disclosed