SCHEMBL2649830

SCHEMBL2649830

CN(C)c1ccc(N(C(=O)Nc2ncc(S(=O)(=O)c3nnnn3C)s2)N(C(=O)Nc2ncc(S(=O)(=O)c3nnnn3C)s2)c2ccc(N3CCOCC3)cc2C(=O)C2CCCC2)c(C(=O)C2CCCC2)c1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 1/20 0.32
SLC6A3 Q01959 1/20 0.32
GHSR Q92847 1/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MMP2 P08253 1/20 0.31
MMP13 P45452 1/20 0.31
ALDH1A1 P00352 2/20 0.31
BMPR1B O00238 1/20 0.31
BMPR1A P36894 1/20 0.31
TGFBR1 P36897 1/20 0.31
ACVRL1 P37023 1/20 0.31
ACVR1 Q04771 1/20 0.31
ITK Q08881 1/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30

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
SCHEMBL2649835 0.89 GHSR (0.35) CHRNA4SLC6A3GHSRMAPTHTT
SCHEMBL1343424 0.83 GHSR (0.38) CHRNA4SLC6A3GHSRMAPTALDH1A1
SCHEMBL1340210 0.80 GAA (0.35) MAPTRAB9ASMN1; SMN2ALDH1A1ITK
SCHEMBL2650482 0.78 IDH1 (0.35) MAPTALDH1A1BMPR1BBMPR1ATGFBR1
SCHEMBL2651015 0.72 CASR (0.33) GHSRMAPTRAB9AALDH1A1
SCHEMBL1340896 0.71 ALDH1A1 (0.41) MAPTSMN1; SMN2ALDH1A1
SCHEMBL1342788 0.70 MAPT (0.33) MAPTHTTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL1342409 0.70 SMN1; SMN2 (0.35) MAPTSMN1; SMN2ALDH1A1
SCHEMBL1342842 0.70 GHSR (0.38) CHRNA4SLC6A3GHSRMAPTRAB9A
SCHEMBL1341777 0.70 ALDH1A1 (0.40) CHRNA4SLC6A3GHSRMAPTHTT

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-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 EP disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed