SCHEMBL9540773

SCHEMBL9540773

CCOc1cc(C(=O)N(C(C)C)C2CCCCC2)ccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
NPC1 O15118 2/20 0.41
GAA P10253 1/20 0.41
APOBEC3G Q9HC16 2/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
SLC6A9 P48067 1/20 0.39
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL9543443 0.87 TSHR (0.43) SLC6A2SLC6A4NPC1GAACYP1A2
SCHEMBL9540766 0.81 SLC6A2 (0.44) SLC6A2SLC6A4NPC1MEN1MAPT
SCHEMBL9540877 0.80 SLC6A9 (0.47) SLC6A2SLC6A4NPC1GAACYP1A2
SCHEMBL9543471 0.79 MEN1 (0.42) SLC6A2SLC6A4APOBEC3GS1PR1S1PR3
SCHEMBL9544581 0.78 NPC1 (0.44) SLC6A2SLC6A4NPC1GAAS1PR1
SCHEMBL9199484 0.78 TSHR (0.44) SLC6A2SLC6A4GAACYP1A2CYP3A4
SCHEMBL13434665 0.78 SLC6A2 (0.48) SLC6A2SLC6A4
SCHEMBL9542258 0.78 NPC1 (0.55) NPC1CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL3487180 0.77 SLC6A2 (0.48) SLC6A2SLC6A4
SCHEMBL10453097 0.77 SLC6A9 (0.51) SLC6A2SLC6A4NPC1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5223539-A Antagonist of platelet activating factor G. D. SEARLE & CO. (US) 1993-06-29 US disclosed
WO-1993010077-A1 N,N-DI-ALKYL(PHENOXY)BENZAMIDE DERIVATIVES G.D. SEARLE & CO. (US) 1993-05-27 WO disclosed