SCHEMBL7072586

SCHEMBL7072586

CCCCCCCCc1ccc(C(=O)NCC)cc1.c1ccc(-n2ccnc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.52
TRPV1 Q8NER1 7/20 0.52
CYP4Z1 Q86W10 1/20 0.51
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PLK1 P53350 3/20 0.47
PLK3 Q9H4B4 3/20 0.47
ADRB1 P08588 2/20 0.47
ADRB2 P07550 1/20 0.45
ADRB3 P13945 1/20 0.45
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7068038 1.00 TBXAS1 (0.52) TBXAS1TRPV1CYP4Z1MAPTL3MBTL1
SCHEMBL7071393 1.00 TBXAS1 (0.52) TBXAS1TRPV1CYP4Z1MAPTL3MBTL1
SCHEMBL7126453 0.82 MAPT (0.54) CYP4Z1MAPTL3MBTL1ADRB1HTT
SCHEMBL9368933 0.82 CYP3A4 (0.63) CYP4Z1MAPTL3MBTL1ADRB1ADRB2
SCHEMBL7068530 0.80 NAAA (0.63) CYP4Z1L3MBTL1MAPK1HTTSMN1; SMN2
SCHEMBL13754056 0.78 PLK1 (0.65) TRPV1MAPTPLK1
Dodecane SCHEMBL27685946 0.78 CYP3A4 (0.72) TBXAS1MAPT
SCHEMBL8508590 0.78 CYP4Z1 (0.65) TBXAS1CYP4Z1MAPTL3MBTL1ADRB1
SCHEMBL7071390 0.77 CYP24A1 (0.74)
SCHEMBL7068036 0.77 CYP24A1 (0.74)

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
WO-2003045381-A1 AMINOALKYLIMIDAZOLE DERIVATIVES AND THEIR USE IN MEDICINE MOLECULAR SKINCARE LIMITED (GB) 2003-06-05 WO claimed
WO-2003045381-A1 AMINOALKYLIMIDAZOLE DERIVATIVES AND THEIR USE IN MEDICINE MOLECULAR SKINCARE LIMITED (GB) 2003-06-05 WO disclosed