SCHEMBL5791838

SCHEMBL5791838

Cc1cc(N2CCCN(CCO)CC2)nc(N)n1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 2/20 0.62
▸ CRHR2 Q13324 2/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ EHMT2 Q96KQ7 1/20 0.55
▸ HRH4 Q9H3N8 4/20 0.51
▸ MAPT P10636 1/20 0.51
▸ GFER P55789 1/20 0.51
▸ HRH3 Q9Y5N1 5/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NUDT1 P36639 1/20 0.43

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
SCHEMBL5792508 0.95 CRHBP (0.60) CRHBPCRHR2SMN1; SMN2EHMT2HRH4
SCHEMBL5792740 0.88 CRHBP (0.68) CRHBPCRHR2SMN1; SMN2EHMT2HRH4
SCHEMBL5792121 0.86 CRHBP (0.61) CRHBPCRHR2SMN1; SMN2EHMT2HRH4
SCHEMBL5792620 0.82 CASP1 (0.61) CRHBPCRHR2SMN1; SMN2EHMT2HRH4
SCHEMBL11981518 0.80 SORD (0.57) SMN1; SMN2MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL5788914 0.80 HRH4 (0.73) CRHBPCRHR2SMN1; SMN2HRH4MAPT
SCHEMBL5793401 0.80 CRHBP (0.53) CRHBPCRHR2SMN1; SMN2EHMT2HRH4
SCHEMBL5788921 0.80 CRHBP (0.96) CRHBPCRHR2SMN1; SMN2EHMT2HRH4
SCHEMBL5790907 0.78 CRHBP (0.57) CRHBPCRHR2SMN1; SMN2EHMT2HRH4
SCHEMBL5792439 0.78 CRHBP (0.57) CRHBPCRHR2SMN1; SMN2EHMT2HRH4

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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