SCHEMBL29419081

SCHEMBL29419081

CCCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 17/20 0.88
LMNA P02545 2/20 0.88
CYP1A2 P05177 2/20 0.88
CYP2D6 P10635 2/20 0.88
CYP3A4 P08684 2/20 0.88
KCNH2 Q12809 2/20 0.88
TSHR P16473 2/20 0.88
KCNK3 O14649 1/20 0.88
SLC22A1 O15245 1/20 0.88
ABCC9 O60706 1/20 0.88
KCNK2 O95069 1/20 0.88
ABCB11 O95342 1/20 0.88
ADRB2 P07550 1/20 0.88
ADRB1 P08588 1/20 0.88
ADRB3 P13945 1/20 0.88
ADRA2C P18825 1/20 0.88
SLC6A2 P23975 1/20 0.88
HTR2A P28223 1/20 0.88
HTR2C P28335 1/20 0.88
SLC6A4 P31645 1/20 0.88

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
Propafenone SCHEMBL41413 0.94 ABCB1 (1.00) ABCB1LMNACYP1A2CYP2D6CYP3A4
Propafenone SCHEMBL27865 0.94 ABCB1 (1.00) ABCB1LMNACYP1A2CYP2D6CYP3A4
Propafenone SCHEMBL16730120 0.94 ABCB1 (1.00) ABCB1LMNACYP1A2CYP2D6CYP3A4
Propafenone SCHEMBL30416841 0.94 ABCB1 (1.00) ABCB1LMNACYP1A2CYP2D6CYP3A4
Propafenone SCHEMBL41412 0.93 MEN1 (1.00) ABCB1LMNACYP1A2CYP2D6CYP3A4
Propafenone SCHEMBL29384899 0.93 MEN1 (1.00) ABCB1LMNACYP1A2CYP2D6CYP3A4
Propafenone SCHEMBL5529275 0.93 MEN1 (1.00) ABCB1LMNACYP1A2CYP2D6CYP3A4
Propafenone SCHEMBL1651012 0.92 ABCB1 (0.96) ABCB1LMNACYP1A2CYP2D6CYP3A4
Propafenone SCHEMBL15539494 0.85 ABCB1 (0.83) ABCB1LMNACYP1A2CYP2D6CYP3A4
SCHEMBL15750367 0.84 ABCB1 (0.77) ABCB1LMNACYP1A2CYP2D6CYP3A4

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-111770685-B Fatty acid derivatives as herbicides 科莱恩国际有限公司 2022-09-09 CN disclosed
WO-2022095816-A1 TERNARY HERBICIDAL COMPOSITION COMPRISING CARBOXYLIC ACID DERIVATIVE-SUBSTITUTED OXYIMINOARYL COMPOUND AND USE THEREOF 青岛清原化合物有限公司 2022-05-12 WO disclosed
WO-2022068377-A1 BINARY HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2022-04-07 WO disclosed
CN-109310082-B Timed release granular agrochemical composition and process for producing the same 拜耳农作物科学股份公司 2022-03-29 CN disclosed