SCHEMBL11104466

SCHEMBL11104466

CCc1c(Cl)ncnc1NC(C)COc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ MTNR1A P48039 3/20 0.42
▸ MTNR1B P49286 3/20 0.42
▸ GBA1 P04062 1/20 0.42
▸ LMNA P02545 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP2D6 P10635 2/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ DRD1 P21728 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ OPRM1 P35372 1/20 0.36

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
SCHEMBL11101246 0.84 MAOA (0.48) MAOAPTGS1MTNR1AMTNR1BGBA1
SCHEMBL11105590 0.79 MAOA (0.48) MAOAPTGS1MTNR1AMTNR1BGBA1
SCHEMBL11105460 0.79 GALR3 (0.54) LMNARAB9A
SCHEMBL11104537 0.77 PIK3CD (0.56) MTNR1AMTNR1BALDH1A1DRD3PIK3CD
SCHEMBL11105703 0.76 EGFR (0.52) LMNAKDM4E
SCHEMBL11256846 0.75 NR2F2 (0.59) MAOAPTGS1GBA1LMNAKMT2A
SCHEMBL11112352 0.74 MAOA (0.48) MAOAPTGS1MTNR1AMTNR1BGBA1
SCHEMBL11108426 0.74 MAOA (0.48) MAOAPTGS1MTNR1AMTNR1BGBA1
SCHEMBL11103467 0.73 EGFR (0.46) PIK3CDKDM4E
SCHEMBL11103433 0.72 ADRB2 (0.44) MTNR1AMTNR1BMEN1KMT2ADRD3

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-4435402-A Aminopyrimidine derivatives, processes for their preparation, and fungicidal, insecticidal and acaricidal compositions containing them SANKYO COMPANY, LIMITED (JP) 1984-03-06 — — US disclosed
EP-0057440-A1 Aminopyrimidine derivatives, processes for their preparation, and fungicidal, insecticidal and acaricidal compositions containing them SANKYO COMPANY LIMITED (JP) 1982-08-11 — — EP disclosed
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