SCHEMBL5793401

SCHEMBL5793401

Cc1cc(N2CCCN(CCc3ccc(F)cc3)CC2)nc(N)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 2/20 0.53
▸ CRHR2 Q13324 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ EHMT2 Q96KQ7 1/20 0.51
▸ HRH4 Q9H3N8 3/20 0.50
▸ HRH3 Q9Y5N1 2/20 0.50
▸ CYP2C9 P11712 1/20 0.48
▸ CASP1 P29466 1/20 0.47
▸ CASP4 P49662 1/20 0.47
▸ CASP5 P51878 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ ADORA2A P29274 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ HTR1A P08908 4/20 0.46
▸ DRD2 P14416 4/20 0.46
▸ HTR2A P28223 4/20 0.46
▸ DRD3 P35462 4/20 0.46
▸ HTR2C P28335 3/20 0.46
▸ DRD4 P21917 3/20 0.46

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
SCHEMBL5792620 0.89 CASP1 (0.61) CRHBPCRHR2SMN1; SMN2EHMT2HRH4
SCHEMBL5792740 0.81 CRHBP (0.68) CRHBPCRHR2SMN1; SMN2EHMT2HRH4
SCHEMBL5791838 0.80 CRHBP (0.62) CRHBPCRHR2SMN1; SMN2EHMT2HRH4
SCHEMBL5792121 0.79 CRHBP (0.61) CRHBPCRHR2SMN1; SMN2EHMT2HRH4
SCHEMBL5792508 0.74 CRHBP (0.60) CRHBPCRHR2SMN1; SMN2EHMT2HRH4
SCHEMBL5788914 0.74 HRH4 (0.73) CRHBPCRHR2SMN1; SMN2HRH4HRH3
SCHEMBL5788921 0.73 CRHBP (0.96) CRHBPCRHR2SMN1; SMN2EHMT2HRH4
SCHEMBL23377845 0.73 HRH3 (0.62) HRH3HTR2AHTR2CHTR7SIGMAR1
SCHEMBL5790907 0.72 CRHBP (0.57) CRHBPCRHR2SMN1; SMN2EHMT2HRH4
SCHEMBL5792439 0.72 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
Send feedback