SCHEMBL11111034

SCHEMBL11111034

Cc1cccc(NCCCNc2cccc(C)c2)c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.83
▸ CYP1A2 P05177 2/20 0.83
▸ CYP3A4 P08684 1/20 0.83
▸ CYP2D6 P10635 1/20 0.83
▸ CYP2C9 P11712 1/20 0.83
▸ CYP2C19 P33261 1/20 0.83
▸ HTT P42858 1/20 0.83
▸ ALDH1A1 P00352 2/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.52
▸ HPGD P15428 1/20 0.51
▸ ICMT O60725 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ ACHE P22303 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HDAC1 Q13547 3/20 0.45
▸ HDAC3 O15379 2/20 0.45
▸ HDAC2 Q92769 2/20 0.45
▸ HDAC10 Q969S8 2/20 0.45
▸ HDAC11 Q96DB2 2/20 0.45

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
SCHEMBL11115640 0.94 MAPT (0.74) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11159262 0.92 MAPT (0.71) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13745659 0.92 MAPT (0.71) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8373327 0.91 MAPT (1.00) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11118609 0.91 MAPT (0.69) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3440754 0.90 MAPT (0.74) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL31519377 0.90 MAPT (0.74) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11112058 0.89 MAPT (0.67) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8284615 0.88 MAPT (0.71) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10282556 0.88 MAPT (0.78) 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-0058868-B1 DERIVATIVES OF TETRAHYDROPYRIMIDINON, PROCESS FOR THEIR PREPARATION AND HERBICIDES CONTAINING THOSE DERIVATIVES AS ACTIVE PRODUCTS NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1984-04-11 — — EP disclosed
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
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