SCHEMBL11114584

SCHEMBL11114584

O=C1N(c2ccccc2)CCCN1c1cc(Cl)cc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
KMT2A Q03164 1/20 0.62
DRD2 P14416 5/20 0.48
DRD3 P35462 5/20 0.48
KCNH2 Q12809 2/20 0.48
ALDH1A1 P00352 1/20 0.45
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
F10 P00742 2/20 0.42
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
METAP2 P50579 1/20 0.42
CTSG P08311 2/20 0.41
CMA1 P23946 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
GRIN1 Q05586 1/20 0.41

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
SCHEMBL6362002 0.87 NPC1 (0.82) MEN1NPC1RAB9AKMT2ADRD2
SCHEMBL610584 0.78 NPC1 (1.00) MEN1NPC1RAB9AKMT2ADRD2
SCHEMBL3783809 0.78 KMT2A (0.47) MEN1NPC1RAB9AKMT2ADRD2
SCHEMBL909200 0.74 MEN1 (0.61) MEN1NPC1RAB9AKMT2ADRD2
SCHEMBL6362778 0.74 MEN1 (0.61) MEN1NPC1RAB9AKMT2ADRD2
SCHEMBL10965901 0.72 DRD2 (0.57) MEN1NPC1RAB9AKMT2ADRD2
SCHEMBL7337557 0.71 DRD2 (0.57) MEN1NPC1RAB9AKMT2ADRD2
SCHEMBL11114878 0.70 MEN1 (0.42) MEN1NPC1RAB9AKMT2ADRD2
SCHEMBL7819571 0.69 LMNA (0.51) MEN1NPC1RAB9AKMT2ADRD2
SCHEMBL11745206 0.69 NPC1 (0.72) MEN1NPC1RAB9AKMT2ADRD2

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 5 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 claimed
US-4402731-A Herbicidally active novel substituted tetrahydropyrimidinones NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1983-09-06 US claimed
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