SCHEMBL4621746

SCHEMBL4621746

Fc1ccc(N(Cc2ccccc2)C2CCCCC2)c(F)c1[Ti]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 3/20 0.42
MTNR1A P48039 1/20 0.42
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
G6PC1 P35575 1/20 0.40
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4650904 0.75 AGER (0.34) AGERMTNR1ASLC6A2SLC6A4SLC6A3
SCHEMBL4621748 0.73 ALDH1A1 (0.46) AGERMTNR1AALDH1A1KDM4ESMN1; SMN2
SCHEMBL10891206 0.73 G6PC1 (0.50) AGERMTNR1ASLC6A2SLC6A4SLC6A3
SCHEMBL4476467 0.73 G6PC1 (0.54) AGERMTNR1ASLC6A2SLC6A4SLC6A3
SCHEMBL9057596 0.73 AGER (0.57) AGERMTNR1ASLC6A2SLC6A4SLC6A3
SCHEMBL27467776 0.71
SCHEMBL8809151 0.70 AGER (0.57) AGERMTNR1ASLC6A2SLC6A4SLC6A3
SCHEMBL8812259 0.69 PGR (0.41) AGERMTNR1ACYP2D6CYP2C9G6PC1
SCHEMBL27498014 0.68 HDAC1 (0.42) AGERMTNR1ASMN1; SMN2OPRM1OPRK1
SCHEMBL27482478 0.68 TSHR (0.47) CTSLMEN1GAAKMT2A

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-1502735-B1 Polymerizable composition FUJIFILM CORP (JP) 2008-04-02 EP disclosed