SCHEMBL7554088

SCHEMBL7554088

C1=C(c2c[nH]c3ncccc23)CCN(CCOc2cccc3[nH]ccc23)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 1.00
SLC6A4 P31645 8/20 1.00
ADRA1D P25100 1/20 1.00
ADRA1A P35348 1/20 1.00
ADRA1B P35368 1/20 1.00
SIGMAR1 Q99720 2/20 0.58
TMEM97 Q5BJF2 1/20 0.58
DRD2 P14416 4/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.46
HTR2A P28223 2/20 0.45
HTT P42858 1/20 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
SCHEMBL7544532 0.88 HTR1A (1.00) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL7881150 0.84 HTR1A (0.90) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL7549298 0.81 HTR1A (1.00) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL7881295 0.81 HTR1A (0.81) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL7885642 0.79 HTR1A (0.72) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL7883009 0.79 HTR1A (0.72) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL7876565 0.78 HTR1A (0.72) HTR1ASLC6A4ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7887563 0.78 HTR1A (0.72) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL7876610 0.78 HTR1A (0.75) HTR1ASLC6A4ADRA1DADRA1AADRA1B
SCHEMBL7884119 0.76 HTR1A (0.73) 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