SCHEMBL11199741

SCHEMBL11199741

COc1ccc2[nH]c3c(c2c1)CCCC3c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.60
HTR2C P28335 6/20 0.56
HTR2A P28223 5/20 0.56
TP53 P04637 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HTR2B P41595 5/20 0.53
MAPT P10636 3/20 0.53
ALDH1A1 P00352 1/20 0.53
HTR1D P28221 2/20 0.51
HTR1B P28222 2/20 0.51
HTR1A P08908 1/20 0.51
DRD4 P21917 1/20 0.51
HTR1E P28566 1/20 0.51
SLC6A4 P31645 1/20 0.51
HTR7 P34969 1/20 0.51
HTR5A P47898 1/20 0.51
HTR6 P50406 1/20 0.51
PRMT5 O14744 1/20 0.49
MAPKAPK2 P49137 4/20 0.48
MAPKAPK5 Q8IW41 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
SCHEMBL8404339 0.84 SIRT1 (0.55) SIRT1HTR2CHTR2ATP53SMN1; SMN2
SCHEMBL13925709 0.83 SIRT1 (0.54) SIRT1HTR2CHTR2ATP53HTR2B
SCHEMBL8404357 0.83 HTR2A (0.59) SIRT1HTR2CHTR2ATP53SMN1; SMN2
SCHEMBL13925785 0.80 HTR2A (0.58) SIRT1HTR2CHTR2ASMN1; SMN2HTR2B
SCHEMBL21758535 0.80 SIRT1 (0.67) SIRT1HTR2CHTR2AHTR2BMAPT
SCHEMBL4135119 0.79 SIRT1 (0.66) SIRT1HTR2CHTR2AHTR2BMAPT
SCHEMBL31120772 0.79 SIRT1 (0.66) SIRT1HTR2CHTR2AHTR2BMAPT
Hydrochloric Acid SCHEMBL29896560 0.78 SIRT1 (0.65) SIRT1HTR2CHTR2AHTR2BMAPT
Hydrochloric Acid SCHEMBL21957637 0.78 SIRT1 (0.65) SIRT1HTR2CHTR2AHTR2BMAPT
Hydrochloric Acid SCHEMBL21957635 0.77 SIRT1 (0.63) SIRT1HTR2CHTR2AHTR2BMAPT

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-0073849-A1 Novel phenyl-1,2,3,4-tetrahydrocarbazoles, their preparation and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1983-03-16 EP disclosed