SCHEMBL6997730

SCHEMBL6997730

COc1c(Cl)cc(Cl)cc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 1.00
ADRA1D P25100 20/20 1.00
HTR1B P28222 20/20 1.00
ADRA1A P35348 20/20 1.00
ADRA1B P35368 20/20 1.00
DRD2 P14416 1/20 0.61
HTR2A P28223 1/20 0.61
HTR2C P28335 1/20 0.61
HTR7 P34969 1/20 0.61
DRD3 P35462 1/20 0.61

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
Hydrochloric Acid SCHEMBL7715210 0.99 HTR1A (0.98) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6996463 0.87 HTR1A (1.00) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL7923082 0.86 HTR1A (0.98) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL7718481 0.86 HTR1A (0.98) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6994673 0.85 HTR1A (0.74) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6990950 0.85 HTR1A (0.89) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL7715213 0.84 HTR1A (0.88) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6990308 0.84 HTR1A (1.00) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL7715246 0.83 HTR1A (0.98) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6997238 0.82 HTR1A (1.00) HTR1AADRA1DHTR1BADRA1AADRA1B

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-0927184-B1 3-SUBSTITUTED PYRIDO 4',3':4,5]THIENO 2,3-D]PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE ABBOTT GMBH & CO KG (DE) 2003-10-22 EP disclosed