SCHEMBL8593140

SCHEMBL8593140

CN(C)CCN(CCCN(CCN(C)C)C(=O)C(F)(F)F)C(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.36
CHRM4 P08173 3/20 0.36
CHRM5 P08912 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.33
CA14 Q9ULX7 1/20 0.33
USP2 O75604 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
MLYCD O95822 3/20 0.31
CTSK P43235 2/20 0.31
KDM5C P41229 1/20 0.30
KDM5B Q9UGL1 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
SCHEMBL9361432 0.81 MLYCD (0.44) CA12CA1CA9MLYCD
SCHEMBL6057133 0.78 CA12 (0.50) CA12CA1CA9
SCHEMBL12393192 0.78 MLYCD (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19141766 0.77 CA14 (0.37) CA14MLYCD
SCHEMBL29411335 0.75 FAAH (0.50) CA12CA1CA9
SCHEMBL10065436 0.75 MLYCD (0.41) CA14MLYCDCTSK
SCHEMBL22386558 0.73 CA14 (0.39) CA14MLYCDCTSK
SCHEMBL12393190 0.73 CTSK (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2610749 0.73 MLYCD (0.48) CA12CA1CA9MLYCD
SCHEMBL8190650 0.73 MLYCD (0.32) MLYCD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10087588-A None JP disclosed
JP-H1087588-A FLUORINE-CONTAINING TERTIARY POLYAMINE RUTHENIUM COMPLEX HAVING NITROGEN FIXING ABILITY AGENCY OF IND SCIENCE & TECHNOL 1998-04-07 JP disclosed