SCHEMBL8181502

SCHEMBL8181502

CN1CCN(c2ccc(CNC(=O)c3ccc(Cl)cc3)cn2)CC1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.67
MAPK8 P45983 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KLKB1 P03952 1/20 0.51
KLK1 P06870 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 4/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
MEN1 O00255 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
IDO1 P14902 1/20 0.48
NAMPT P43490 1/20 0.48
KDM1A O60341 1/20 0.48
HDAC1 Q13547 1/20 0.48

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
SCHEMBL1331780 0.93 RAB9A (0.64) RAB9AMAPK8L3MBTL1KLKB1KLK1
SCHEMBL8186876 0.90 RAB9A (0.66) RAB9AL3MBTL1KLKB1KLK1SMN1; SMN2
SCHEMBL6708288 0.86 RAB9A (0.61) RAB9AL3MBTL1SMN1; SMN2HTTNPSR1
SCHEMBL1331001 0.84 RAB9A (0.61) RAB9AMAPK8L3MBTL1SMN1; SMN2HTT
SCHEMBL1330190 0.81 RAB9A (0.67) RAB9AMAPK8L3MBTL1SMN1; SMN2HTT
SCHEMBL3057935 0.81 KLKB1 (0.49) RAB9AL3MBTL1KLKB1KLK1SMN1; SMN2
SCHEMBL8162830 0.79 SMO (0.50) RAB9AL3MBTL1KLKB1KLK1SMN1; SMN2
SCHEMBL2137278 0.78 ALDH1A1 (0.55) RAB9AL3MBTL1SMN1; SMN2HTTKMT2A
SCHEMBL1331421 0.78 SMN1; SMN2 (0.56) RAB9AMAPK8SMN1; SMN2HTTKMT2A
SCHEMBL2139557 0.77 ALDH1A1 (0.54) RAB9AL3MBTL1SMN1; SMN2HTTKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed