SCHEMBL4831481

SCHEMBL4831481

CCCCOC(=O)N1CCC(c2nccs2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
DRD4 P21917 2/20 0.42
AOC3 Q16853 1/20 0.42
GRIN2B Q13224 1/20 0.41
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
NOS2 P35228 2/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.39
MMP13 P45452 2/20 0.39
MMP2 P08253 1/20 0.39

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
SCHEMBL15942008 0.82 CHRM2 (0.54) L3MBTL1LMNASMN1; SMN2DRD4NOS2
SCHEMBL18711623 0.78 DRD4 (0.47) DRD4AOC3
SCHEMBL2453725 0.78 LMNA (0.44) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL5456459 0.77 LMNA (0.49) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL2450026 0.77 LMNA (0.43) L3MBTL1LMNAPOLBSMN1; SMN2HRH2
SCHEMBL20738510 0.76 DRD4 (0.47) POLBDRD4AOC3ALDH1A1TSHR
SCHEMBL2454613 0.75 LMNA (0.41) L3MBTL1LMNAPOLBSMN1; SMN2HRH2
SCHEMBL2454067 0.75 ALDH1A1 (0.43) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL4562941 0.75 DRD4 (0.46) SMN1; SMN2DRD4AOC3GRIN2BALDH1A1
SCHEMBL8922008 0.74 CHRM4 (0.59) L3MBTL1LMNAPOLBSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004625-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Vertex Pharmaceuticals Incorporated (US) 2008-12-24 EP disclosed
WO-2007111904-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-04 WO disclosed