SCHEMBL5804103

SCHEMBL5804103

CCC(F)[N+](C)(C)CCO

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 1/20 0.38
SLC5A7 Q9GZV3 1/20 0.38
DNM1 Q05193 2/20 0.33
TSHR P16473 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
SCHEMBL22034530 0.81
SCHEMBL4788386 0.72 MEN1 (0.39) MEN1LMNAKMT2ACYP3A4SLC5A7
SCHEMBL9848691 0.70 MEN1 (0.38) MEN1LMNAKMT2ACYP3A4SLC5A7
Hydrochloric Acid SCHEMBL4774500 0.68 CYP3A4 (0.42) MEN1LMNAKMT2ACYP3A4SLC5A7
Bromide SCHEMBL5713154 0.68 MEN1 (0.42) MEN1LMNAKMT2ACYP3A4SLC5A7
SCHEMBL13158753 0.67
Hydrochloric Acid SCHEMBL20163202 0.65 CYP3A4 (0.50) MEN1LMNAKMT2ACYP3A4SLC5A7
Choline SCHEMBL27919600 0.61 MEN1 (0.71) MEN1LMNAKMT2ACYP3A4SLC5A7
Choline SCHEMBL8994290 0.60 MEN1 (0.80) MEN1LMNAKMT2ACYP3A4SLC5A7
Choline SCHEMBL21380518 0.60 MEN1 (0.80) MEN1LMNAKMT2ACYP3A4SLC5A7

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
WO-2006082108-A2 IMAGING METHOD AND COMPOSITION FOR IMAGING VASCULAR DISEASES SCHERING AG (DE) 2006-08-10 WO claimed
WO-2006082108-A2 IMAGING METHOD AND COMPOSITION FOR IMAGING VASCULAR DISEASES SCHERING AG (DE) 2006-08-10 WO disclosed