SCHEMBL12132533

SCHEMBL12132533

CN1CCN(CCCNC(=O)c2ccc(N(C)C)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ GAA P10253 1/20 0.64
▸ MAPT P10636 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ HTT P42858 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ DRD2 P14416 5/20 0.62
▸ DRD3 P35462 5/20 0.62
▸ DRD4 P21917 4/20 0.62
▸ HTR1A P08908 2/20 0.62
▸ HDAC6 Q9UBN7 9/20 0.61
▸ HDAC8 Q9BY41 8/20 0.61
▸ HDAC2 Q92769 7/20 0.61
▸ HDAC1 Q13547 8/20 0.58
▸ HDAC10 Q969S8 8/20 0.58
▸ HDAC3 O15379 4/20 0.58
▸ HDAC4 P56524 4/20 0.58
▸ HDAC7 Q8WUI4 4/20 0.58
▸ HDAC11 Q96DB2 4/20 0.58

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
SCHEMBL5483450 0.90 DRD2 (0.60) LMNAALDH1A1GAAMAPTMAPK1
SCHEMBL178534 0.85 KMT2A (0.71) LMNAALDH1A1GAAMAPTMAPK1
SCHEMBL16227646 0.83 ALDH1A1 (0.69) LMNAALDH1A1GAAMAPTMAPK1
SCHEMBL14430804 0.83 DRD2 (0.57) LMNAALDH1A1GAAMAPTMAPK1
SCHEMBL19226707 0.83 SMN1; SMN2 (0.92) LMNAALDH1A1GAAMAPTMAPK1
SCHEMBL8953170 0.82 NPSR1 (0.70) ALDH1A1DRD2DRD3DRD4HTR1A
SCHEMBL12074931 0.82 LMNA (0.92) LMNAALDH1A1GAAMAPTMAPK1
SCHEMBL17599747 0.81 ALDH1A1 (0.63) LMNAALDH1A1GAAMAPTMAPK1
SCHEMBL19891358 0.81 DRD2 (0.62) LMNAALDH1A1GAAMAPTMAPK1
SCHEMBL10723752 0.80 LMNA (0.74) LMNAALDH1A1GAAMAPTMAPK1

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
US-8063115-B2 Radiation curable compositions AGFA GRAPHICS NV (BE) 2011-11-22 — — US disclosed
US-8063115-B2 Radiation curable compositions AGFA GRAPHICS NV (BE) 2011-11-22 — — US disclosed
US-20090326091-A1 NOVEL RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2009-12-31 — — US disclosed
US-20090326091-A1 NOVEL RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2009-12-31 — — US disclosed
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