SCHEMBL8541129

SCHEMBL8541129

CCCC(CC)C(C)CC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.34
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 3/20 0.32
CYP3A4 P08684 2/20 0.32
NFKB1 P19838 2/20 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
SCHEMBL20828886 0.80 CA2 (0.38) METAP1CA1CA2LMNAALDH1A1
SCHEMBL10489339 0.78 METAP1 (0.39) METAP1CA1CA2CHRM1AKR1A1
SCHEMBL27494290 0.76 TDP1 (0.40) METAP1CA1CA2LMNACHRM1
SCHEMBL19554546 0.76 DPP4 (0.33) CA1CA2ALDH1A1
SCHEMBL17283415 0.75 DPP4 (0.35) CA1CA2TDP1ALDH1A1TSHR
SCHEMBL18286818 0.75 CA1 (0.33) METAP1CA1CA2LMNACHRM1
SCHEMBL27352539 0.74 CA1 (0.43) METAP1CA1CA2LMNACHRM1
SCHEMBL28675963 0.73 LMNA (0.38) METAP1CA1CA2LMNACHRM1
SCHEMBL4557736 0.73 CHRM1 (0.41) METAP1CA2LMNACHRM1AKR1A1
SCHEMBL28436194 0.73 GPR84 (0.42) CA1CA2CYP3A4GRIK1GRIK2

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
WO-1999059989-A1 PROCESS FOR THE PREPARATION OF A BENZO FUSED HETEROCYCLO SULFONYL HALIDE INTERMEDIATE G.D. SEARLE & CO. (US) 1999-11-25 WO disclosed