SCHEMBL5788994

SCHEMBL5788994

Cc1cc(N2CCC(c3cccnc3)C2)nc(N)n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 4/20 0.53
▸ HRH3 Q9Y5N1 4/20 0.48
▸ MAPT P10636 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ CRHBP P24387 2/20 0.46
▸ CRHR2 Q13324 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PDE10A Q9Y233 1/20 0.45
▸ SMPD3 Q9NY59 1/20 0.42
▸ SPR P35270 1/20 0.41
▸ GPR39 O43194 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40

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
SCHEMBL5790892 0.87 HRH4 (0.59) HRH4HRH3MAPTGFERCRHBP
SCHEMBL5742735 0.79 MAPT (0.64) HRH4HRH3MAPTGFERCRHBP
SCHEMBL5790678 0.78 HRH4 (0.54) HRH4HRH3MAPTGFERCRHBP
SCHEMBL5743624 0.74 SMPD3 (0.53) HRH4HRH3PDE10ASMPD3
SCHEMBL5789047 0.72 HRH4 (0.66) HRH4HRH3MAPTGFERCRHBP
SCHEMBL31401410 0.70 PDE10A (0.55) PDE10ASMPD3SPR
SCHEMBL13006578 0.70 CYP11B2 (0.54) MAPTCYP11B2
SCHEMBL29442417 0.70 HRH3 (0.71) HRH4HRH3MAPTGFERCRHBP
SCHEMBL594412 0.70 CYP11B2 (0.54) MAPTSPRCYP11B2
SCHEMBL29384803 0.70 CYP11B2 (0.54) MAPTCYP11B2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006016014-A1 NOVEL COMPOUNDS OF A 6-METHYL-PYRIMIDINE-2,4-DIAMINE FAMILY, METHOD FOR SYNTHESISING, COMPOSITIONS CONTAINING SAID COMPOUNDS AND THE USE THEREOF L'OREAL (FR) 2006-02-16 — — WO claimed
EP-1437348-A1 6-methyl-2,4-diamino-pyrimidine derivatives, process for preparation, compositions containing them and their uses as basic neutralising agents L'OREAL (FR) 2004-07-14 — — EP claimed
WO-2006016014-A1 NOVEL COMPOUNDS OF A 6-METHYL-PYRIMIDINE-2,4-DIAMINE FAMILY, METHOD FOR SYNTHESISING, COMPOSITIONS CONTAINING SAID COMPOUNDS AND THE USE THEREOF L'OREAL (FR) 2006-02-16 — — WO disclosed
EP-1437348-A1 6-methyl-2,4-diamino-pyrimidine derivatives, process for preparation, compositions containing them and their uses as basic neutralising agents L'OREAL (FR) 2004-07-14 — — EP disclosed
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