SCHEMBL28051689

SCHEMBL28051689

CCCCCCCc1ccc2c(c1)-c1cc(CCCCCCC)ccc1C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.51
SLC6A4 P31645 3/20 0.51
HTR2A P28223 3/20 0.51
HTR2C P28335 2/20 0.51
DRD2 P14416 1/20 0.51
LPL P06858 5/20 0.49
LIPG Q9Y5X9 5/20 0.49
TRPV1 Q8NER1 1/20 0.49
MGLL Q99685 1/20 0.49
ESR1 P03372 2/20 0.48
ADRA2A P08913 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
TACR2 P21452 2/20 0.48
SLC6A3 Q01959 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
SHBG P04278 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL4890264 1.00 SLC6A2 (0.51) SLC6A2SLC6A4HTR2AHTR2CDRD2
SCHEMBL28051722 1.00 SLC6A2 (0.51) SLC6A2SLC6A4HTR2AHTR2CDRD2
SCHEMBL28051690 1.00 SLC6A2 (0.51) SLC6A2SLC6A4HTR2AHTR2CDRD2
SCHEMBL4897218 1.00 SLC6A2 (0.51) SLC6A2SLC6A4HTR2AHTR2CDRD2
SCHEMBL4895890 1.00 SLC6A2 (0.51) SLC6A2SLC6A4HTR2AHTR2CDRD2
SCHEMBL4896260 1.00 SLC6A2 (0.51) SLC6A2SLC6A4HTR2AHTR2CDRD2
SCHEMBL28825911 1.00 SLC6A2 (0.51) SLC6A2SLC6A4HTR2AHTR2CDRD2
SCHEMBL28051694 1.00 SLC6A2 (0.51) SLC6A2SLC6A4HTR2AHTR2CDRD2
SCHEMBL28051680 1.00 SLC6A2 (0.51) SLC6A2SLC6A4HTR2AHTR2CDRD2
SCHEMBL4894434 0.98 HTR2A (0.49) SLC6A2SLC6A4HTR2AHTR2CDRD2

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
CN-105348330-A 3 mono-substituted or 3,6 bis-substituted fluorenyl metalloscene and preparation method and application thereof SUZHOU APAC BIOLOG SCIENCE & TECHNOLOGY CO LTD 2016-02-24 CN disclosed
CN-105330508-A 3-monosubstituted or 3,6-disubstituted fluorene derivative and preparing method and application thereof SUZHOU APAC BIOLOG SCIENCE & TECHNOLOGY CO LTD 2016-02-17 CN disclosed