SCHEMBL11075657

SCHEMBL11075657

CN(C)CCCC1(c2ccccc2)CCc2cccc(O)c2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
UTS2R Q9UKP6 8/20 0.38
SLC6A4 P31645 5/20 0.35
HTR1A P08908 2/20 0.33
HTR1B P28222 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR7 P34969 2/20 0.33
HTR6 P50406 2/20 0.33
MAPT P10636 2/20 0.33
HTR3E A5X5Y0 1/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
CACNA1F O60840 1/20 0.33
SLC22A3 O75751 1/20 0.33
HTR3B O95264 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PRNP P04156 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33

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
SCHEMBL11077433 0.82 LMNA (0.44) LMNAUTS2RSLC6A4HTR1AHTR1B
SCHEMBL11076554 0.81 AKT1 (0.50) LMNAHTR1AHTR1BHTR2AHTR2C
SCHEMBL11074440 0.78 AKT1 (0.46) LMNAUTS2RSLC6A4HTR7KCNH2
SCHEMBL11075163 0.69 AKT1 (0.46) DRD2DRD3
SCHEMBL27456056 0.67 HTR1A (0.39) HTR1AHTR1BHTR2AHTR2CHTR7
SCHEMBL9749197 0.66 SSTR5 (0.37) LMNAHTR1AHTR1BHTR2AHTR2C
SCHEMBL11244215 0.64 AKT1 (0.50) LMNAHTR1AHTR1BHTR2AHTR2C
SCHEMBL11078511 0.63 POLB (0.41) LMNAMAPT
SCHEMBL11075158 0.62 DRD2 (0.34) HTR1ADRD2DRD3
SCHEMBL11075660 0.62 HTR2A (0.40) LMNAHTR2AHTR2CDRD2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4452801-A ANTIINFLAMMATORY AGENTS, ANTICOAGULATNS, ANTIALLERGENS, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1984-06-05 US disclosed
US-4360532-A ANTIINFLAMMATORY AGENTS, ANTICOAGULANTS, ANTIALLERGENS, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-11-23 US disclosed
US-4321270-A ANTIINFLAMMATORY AGENT, ANTIAGGLOMERANTS, AND HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-03-23 US disclosed