SCHEMBL4040157

SCHEMBL4040157

C[C@]1(CC(O)c2ccccc2)CN(c2ccc(Oc3ccccc3)cc2)CCN1S(=O)(=O)c1ccccc1.NC(=O)NC=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
HTR1A P08908 1/20 0.34
MMP1 P03956 2/20 0.34
MMP3 P08254 2/20 0.34
MMP7 P09237 2/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
PTGDR Q13258 1/20 0.34
ADRB1 P08588 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2B P41595 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL4039234 1.00 MAPT (0.39) MAPTKMT2ANPSR1MEN1HTT
SCHEMBL4033158 1.00 MAPT (0.39) MAPTKMT2ANPSR1MEN1HTT
SCHEMBL4037448 0.90 MAPK1 (0.37) MAPTKMT2ANPSR1MEN1HTT
SCHEMBL4203707 0.86 ALDH1A1 (0.42) MAPTKMT2ANPSR1MEN1HTT
SCHEMBL30600005 0.60 MAPT (0.64) MAPTKMT2AMEN1HTTHSD17B10
SCHEMBL15462055 0.58 ALDH1A1 (0.58) MAPTKMT2AMEN1HTTSMN1; SMN2
SCHEMBL2953594 0.57 ALDH1A1 (0.76) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL1618681 0.57 ALDH1A1 (0.56) MAPTKMT2AMEN1HTTSMN1; SMN2
SCHEMBL5635019 0.56 MAPT (0.39) MAPTKMT2ANPSR1LMNAUSP2
SCHEMBL28522648 0.56 LTA4H (0.60) MAPTKMT2ANPSR1MEN1HTT

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-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed