SCHEMBL5789028

SCHEMBL5789028

Cc1cc(N2CCCCC2)cc(N)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.57
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 3/20 0.45
MAPT P10636 3/20 0.45
ALOX15 P16050 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
NR4A1 P22736 1/20 0.45
NCF1 P14598 2/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL4140306 0.86 HRH4 (0.61) HRH4CRHBPCRHR2SMN1; SMN2MEN1
SCHEMBL5789968 0.82 CRHBP (0.57) HRH4CRHBPCRHR2NOS3NOS1
SCHEMBL17827818 0.78 CRHBP (0.46) HRH4CRHBPCRHR2SMN1; SMN2MEN1
SCHEMBL22148449 0.76 HRH4 (0.58) HRH4CRHBPCRHR2SMN1; SMN2NOS3
SCHEMBL30788620 0.76 HRH4 (0.58) HRH4CRHBPCRHR2SMN1; SMN2NOS3
SCHEMBL10810138 0.72 ALDH1A1 (0.47) HRH4CRHBPCRHR2SMN1; SMN2MEN1
SCHEMBL23516878 0.72 MEN1 (0.42) HRH4CRHBPCRHR2SMN1; SMN2MEN1
SCHEMBL29762696 0.72 MEN1 (0.42) HRH4CRHBPCRHR2SMN1; SMN2MEN1
SCHEMBL6443104 0.72 GRIN2D (0.63) HRH4
SCHEMBL14842709 0.71 NOS3 (0.50) HRH4NOS3NOS1NOS2

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