SCHEMBL4032668

SCHEMBL4032668

CC1(CC(O)c2ccccc2)CN(c2ccc(Cl)c(Cl)c2)CCN1S(=O)(=O)c1ccccc1.NC(=O)NC=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
MAPT P10636 4/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
CCR1 P32246 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
IGF1R P08069 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
PTGDR Q13258 3/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
PSEN1 P49768 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
SCHEMBL4040157 0.87 MAPT (0.39) SMN1; SMN2MAPTLMNAHTTKMT2A
SCHEMBL4039234 0.87 MAPT (0.39) SMN1; SMN2MAPTLMNAHTTKMT2A
SCHEMBL4203707 0.74 ALDH1A1 (0.42) SMN1; SMN2MAPTLMNAHTTGAA
SCHEMBL4035688 0.66 CA12 (0.39) THRBCA12CA1CA2CA9
SCHEMBL4037368 0.65 CCR1 (0.39) SMN1; SMN2LMNAHTTKMT2AMEN1
SCHEMBL14015983 0.58 ADRB1 (0.48) SMN1; SMN2MAPTLMNAHTTKMT2A
SCHEMBL2114232 0.57 ADRB1 (0.49) MAPTHTTCCR1
SCHEMBL2115330 0.57 ADRB1 (0.69)
SCHEMBL5235809 0.57 MAPT (0.44) THRBSMN1; SMN2MAPTLMNAHTT
SCHEMBL5045696 0.56 IGF1R (0.43) THRBSMN1; SMN2MAPTLMNAHTT

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