SCHEMBL11159262

SCHEMBL11159262

Cc1ccc(NCCCNc2cccc(C)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.71
HTT P42858 2/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
ALDH1A1 P00352 3/20 0.52
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ICMT O60725 1/20 0.43
GFER P55789 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SYK P43405 1/20 0.42
F2 P00734 1/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL11111034 0.92 MAPT (0.83) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL11115640 0.91 MAPT (0.74) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL13745659 0.85 MAPT (0.71) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL11114042 0.84 MAPT (0.52) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL8373327 0.84 MAPT (1.00) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL11518048 0.84 MAPT (0.80) MAPTHTTALDH1A1HPGDNPC1
SCHEMBL11118609 0.84 MAPT (0.69) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL3440754 0.83 MAPT (0.74) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL31519377 0.83 MAPT (0.74) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL24137862 0.82 MAPT (0.88) MAPTHTTCYP1A2CYP3A4CYP2D6

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-4402731-A Herbicidally active novel substituted tetrahydropyrimidinones NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1983-09-06 US disclosed
EP-0058868-A1 Derivatives of tetrahydropyrimidinon, process for their preparation and herbicides containing those derivatives as active products NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1982-09-01 EP disclosed