SCHEMBL7544532

SCHEMBL7544532

C1=C(c2c[nH]c3ncccc23)CCN(CCOc2cccc3ncccc23)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 1.00
SLC6A4 P31645 8/20 1.00
ADRA1D P25100 1/20 0.78
ADRA1A P35348 1/20 0.78
ADRA1B P35368 1/20 0.78
SIGMAR1 Q99720 2/20 0.61
TMEM97 Q5BJF2 1/20 0.61
DRD2 P14416 4/20 0.52
DRD4 P21917 2/20 0.52
DRD3 P35462 2/20 0.52
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
CHEK1 O14757 3/20 0.45
MAP4K4 O95819 3/20 0.45
PIM1 P11309 3/20 0.45
PRKACA P17612 3/20 0.45
CLK2 P49760 3/20 0.45
GSK3B P49841 3/20 0.45
CDK5 Q00535 3/20 0.45
PRKAA1 Q13131 3/20 0.45

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
SCHEMBL7554088 0.88 HTR1A (1.00) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL7549298 0.84 HTR1A (1.00) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL13502652 0.78 SIGMAR1 (0.68) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL1849516 0.75 SIGMAR1 (0.73) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL7549308 0.74 HTR1A (0.59) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL1853604 0.74 SIGMAR1 (0.69) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL2064431 0.74 SLC6A4 (0.64) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL1850315 0.72 TMEM97 (0.63) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL13064304 0.72 TMEM97 (0.59) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL7885535 0.71 HTR1A (0.60) HTR1ASLC6A4ADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002543079-A 2002-12-17 JP claimed
EP-1171439-A1 AZAINDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2002-01-16 EP claimed
US-6337336-B1 HETEROCYCLIC OXYPHENOL COMPOUNDS AMERICAN HOME PRODUCTS CORPORATION 2002-01-08 US claimed
WO-2000064898-A1 AZAINDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-02 WO claimed
EP-1171439-A1 AZAINDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2002-01-16 EP disclosed
US-6337336-B1 HETEROCYCLIC OXYPHENOL COMPOUNDS AMERICAN HOME PRODUCTS CORPORATION 2002-01-08 US disclosed
WO-2000064898-A1 AZAINDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-02 WO disclosed