SCHEMBL325138

SCHEMBL325138

CC1CCCN(C(=O)c2cccc(N(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccn(C)n3)c2)C1.O=C(c1cccc(NCc2ccc(Cl)cc2)c1)N1CCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.44
GRM5 P41594 5/20 0.41
RHOA P61586 4/20 0.40
SIRT5 Q9NXA8 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 3/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL18487074 0.92 GRM5 (0.43) NTRK1GRM5RHOASIRT5ALDH1A1
SCHEMBL304191 0.89 LMNA (0.37) NTRK1RHOAALDH1A1HPGDGAA
SCHEMBL18487077 0.86 LMNA (0.46) RHOAALDH1A1HPGDGAALMNA
SCHEMBL3379922 0.81 GRM5 (0.60) NTRK1GRM5RHOASIRT5ALDH1A1
SCHEMBL3415407 0.80 HSD11B1 (0.45) NTRK1ALDH1A1KMT2A
SCHEMBL2214180 0.77 MEN1 (0.54) ALDH1A1LMNAKMT2A
SCHEMBL3377043 0.76 MEN1 (0.47) GRM5ALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL302949 0.76 MEN1 (0.49) ALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL2214837 0.76 MEN1 (0.44) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL303294 0.75 MEN1 (0.47) GRM5ALDH1A1GAAKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2012500836-A 2012-01-12 JP claimed
EP-2342177-A1 NOVEL POTASSIUM CHANNEL BLOCKERS Xention Limited (GB) 2011-07-13 EP claimed
EP-2342177-A1 NOVEL POTASSIUM CHANNEL BLOCKERS Xention Limited (GB) 2011-07-13 EP disclosed