SCHEMBL6989469

SCHEMBL6989469

COc1ccccc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(CCNC(=O)c2ccccc2)C4)CC1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 19/20 0.72
ADRA1D P25100 19/20 0.72
HTR1B P28222 19/20 0.72
ADRA1A P35348 19/20 0.72
ADRA1B P35368 19/20 0.72

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 SCHEMBL7720168 0.99 HTR1A (0.71) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6990981 0.96 HTR1A (0.70) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL7720217 0.95 HTR1A (0.69) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6994967 0.88 HTR1A (0.73) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL7722215 0.87 HTR1A (0.72) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6994129 0.86 HTR1A (0.77) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6998898 0.86 HTR1A (0.79) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6995317 0.86 HTR1A (0.84) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL7715124 0.85 HTR1A (0.76) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL7715288 0.85 HTR1A (0.78) 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