SCHEMBL6174102

SCHEMBL6174102

CCC(C)(Cc1ccc(S(=O)(=O)C(F)(F)F)cc1)NCCCCN1CCN(S(=O)(=O)c2cn(C)cn2)CC1=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.35
LMNA P02545 3/20 0.34
PKM P14618 1/20 0.34
POLB P06746 3/20 0.34
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
F10 P00742 1/20 0.32
GRM2 Q14416 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
SLC6A9 P48067 3/20 0.32

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
SCHEMBL4873615 0.79 LMNA (0.34) TP53LMNAPKMPOLBMAPT
SCHEMBL6982440 0.79 PDK1 (0.41) LMNAPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL6172702 0.77 PLA2G2A (0.33) MMP1MMP9
SCHEMBL4875011 0.76 POLB (0.35) TP53LMNAPKMPOLBMAPT
SCHEMBL6172262 0.75 LMNA (0.34) LMNASMN1; SMN2MMP1MMP9
SCHEMBL6173400 0.72 ACHE (0.31) LMNASMN1; SMN2
SCHEMBL6173064 0.72 CCR2 (0.33) POLBKMT2AMMP1MMP9
SCHEMBL6172884 0.71 LMNA (0.30) LMNASMN1; SMN2
SCHEMBL6173963 0.70 LMNA (0.39) LMNAPKMPOLBMAPTSMN1; SMN2
SCHEMBL7085949 0.70 PDK1 (0.35) KMT2A

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
EP-1289965-B1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-10-26 EP disclosed