SCHEMBL14613112

SCHEMBL14613112

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.38
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL277889 0.77 CA1 (0.43) METAP1TSHRCHRM1AKR1A1CHRM3
SCHEMBL27687835 0.70 CHRM1 (0.42) METAP1TSHRCHRM1AKR1A1CHRM3
SCHEMBL277403 0.70 CHRM1 (0.54) METAP1TSHRCHRM1AKR1A1CHRM3
SCHEMBL20490047 0.70 CHRM1 (0.42) METAP1TSHRCHRM1AKR1A1CHRM3
SCHEMBL18600323 0.70 METAP1 (0.39) METAP1TSHR
SCHEMBL8847477 0.68 CHRM1 (0.41) METAP1TSHRCHRM1AKR1A1CHRM3
SCHEMBL4655250 0.68 METAP1 (0.33) METAP1TSHRCHRM1AKR1A1CHRM3
SCHEMBL1809320 0.67 METAP1 (0.37) METAP1TSHRCHRM1AKR1A1CHRM3
SCHEMBL599589 0.66 LMNA (0.42) METAP1LMNATSHR
SCHEMBL23358841 0.65 METAP1 (0.39) METAP1LMNATSHRCHRM1AKR1A1

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-1754710-A2 2'-Fluoroncucleosides Emory University (US) 2007-02-21 EP disclosed