SCHEMBL8103859

SCHEMBL8103859

CC(=O)NCCNc1cccc(C)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
HTT P42858 1/20 0.70
MTNR1A P48039 1/20 0.66
MTNR1B P49286 1/20 0.66
HSD17B10 Q99714 1/20 0.59
CA12 O43570 1/20 0.49
CA4 P22748 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
GAA P10253 1/20 0.49
CTSK P43235 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL28807983 0.84 HSD17B10 (0.65) MAPTHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL8373327 0.84 MAPT (1.00) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11293767 0.82 HSD17B10 (0.57) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28807981 0.81 SMN1; SMN2 (0.66) MAPTCYP1A2CYP3A4CYP2C19HTT
SCHEMBL18050210 0.81 MAPT (0.72) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27823612 0.81 MAPT (0.67) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11843114 0.80 MTNR1A (0.61) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3396218 0.80 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL14065446 0.80 MTNR1A (0.61) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14368018 0.80 MTNR1A (0.61) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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-1055926-A2 Electrochemical assay using an electroconductive diamond-coated electrode, and electrochemical assay system based thereon KABUSHIKI KAISHA MEIDENSHA (JP) 2000-11-29 EP disclosed
EP-0353311-B1 NUCLEOSIDE OXIDASE AND ANALYTICAL METHOD USING SAME OTSUKA FOOD CO LTD (JP) 1995-01-18 EP disclosed
EP-0353311-A1 NUCLEOSIDE OXIDASE AND ANALYTICAL METHOD USING SAME OTSUKA FOODS CO., LTD. (JP) 1990-02-07 EP disclosed