SCHEMBL5790892

SCHEMBL5790892

Cc1cc(N2CCC(c3ccccc3)C2)nc(N)n1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 6/20 0.59
▸ MAPT P10636 1/20 0.58
▸ GFER P55789 1/20 0.58
▸ HRH3 Q9Y5N1 4/20 0.54
▸ CRHBP P24387 2/20 0.51
▸ CRHR2 Q13324 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ SMPD3 Q9NY59 2/20 0.51
▸ DHFR P00374 2/20 0.46
▸ GPR39 O43194 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL5742735 0.92 MAPT (0.64) HRH4MAPTGFERHRH3CRHBP
SCHEMBL5788994 0.87 HRH4 (0.53) HRH4MAPTGFERHRH3CRHBP
SCHEMBL5743624 0.86 SMPD3 (0.53) HRH4HRH3SMPD3DHFR
SCHEMBL5790678 0.83 HRH4 (0.54) HRH4MAPTGFERHRH3CRHBP
SCHEMBL5743990 0.78 DHFR (0.53) HRH4MAPTGFERHRH3SMPD3
SCHEMBL606508 0.78 HRH4 (0.60) HRH4HRH3
Hydrochloric Acid SCHEMBL5743802 0.77 DHFR (0.52) HRH4MAPTGFERHRH3SMPD3
SCHEMBL5789047 0.76 HRH4 (0.66) HRH4MAPTGFERHRH3CRHBP
SCHEMBL31646673 0.76 ALDH1A1 (0.46) MAPTGFERSMN1; SMN2DHFRGPR39
SCHEMBL5742555 0.75 MAPT (0.97) HRH4MAPTGFERHRH3CRHBP

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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