SCHEMBL7409267

SCHEMBL7409267

O=S(=O)(Cc1ccccc1)OC1CCc2[nH]c3ccc(Oc4ccc(Cl)cc4)cc3c2C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.41
HTR1D P28221 3/20 0.40
HTR1B P28222 3/20 0.40
ACHE P22303 2/20 0.40
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
EGFR P00533 1/20 0.38
IGF1R P08069 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
HTR2A P28223 1/20 0.36

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
SCHEMBL7414428 0.82 HTR1D (0.41) HTR1DHTR1BLMNATP53MAPT
SCHEMBL7407819 0.78 KMT2A (0.44) HTR6HTR1DHTR1BNR1H2NR1H3
SCHEMBL7415811 0.74 HTR1B (0.50) HTR1DHTR1BLMNATHRBEGFR
SCHEMBL7410152 0.72 HTR1D (0.50) HTR1DHTR1BEGFRIGF1RFLT4
SCHEMBL7413807 0.69 KMT2A (0.46) HTR6HTR1DHTR1BMAPT
SCHEMBL7407748 0.69 HTR1D (0.51) HTR6HTR1DHTR1BACHE
Hydrochloric Acid SCHEMBL7406268 0.68 HTR1D (0.50) HTR6HTR1DHTR1BACHEEGFR
SCHEMBL7410787 0.68 HTR2A (0.47) HTR6LMNATP53MAPTNR1H2
SCHEMBL7657062 0.67 EGFR (0.51) HTR1DHTR1BEGFRIGF1RFLT4
SCHEMBL7413500 0.67 SIRT1 (0.50) HTR6HTR1DHTR1BNR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed