SCHEMBL6989308

SCHEMBL6989308

COc1ccccc1N1CCN(CCN2C=Nc3sc4c(c3C2[N])CCN(C)C4)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 13/20 0.57
ADRA1A P35348 13/20 0.57
ADRA1B P35368 13/20 0.57
HTR1A P08908 12/20 0.57
HTR1B P28222 12/20 0.57
DRD2 P14416 5/20 0.46
DRD3 P35462 3/20 0.46

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
SCHEMBL6997280 0.95 HTR1A (0.53) ADRA1DADRA1AADRA1BHTR1AHTR1B
SCHEMBL6994228 0.88 HTR1A (0.48) ADRA1DADRA1AADRA1BHTR1AHTR1B
SCHEMBL6994844 0.87 HTR1A (0.56) ADRA1DADRA1AADRA1BHTR1AHTR1B
SCHEMBL6989795 0.84 HTR1A (0.52) ADRA1DADRA1AADRA1BHTR1AHTR1B
SCHEMBL6995968 0.84 HTR1A (0.51) ADRA1DADRA1AADRA1BHTR1AHTR1B
SCHEMBL6998070 0.84 HTR1A (0.44) ADRA1DADRA1AADRA1BHTR1AHTR1B
SCHEMBL6989660 0.84 HTR1A (0.42) ADRA1DADRA1AADRA1BHTR1AHTR1B
SCHEMBL6992089 0.83 HTR1A (0.41) ADRA1DADRA1AADRA1BHTR1AHTR1B
SCHEMBL7092290 0.82 HTR1A (0.53) ADRA1DADRA1AADRA1BHTR1AHTR1B
SCHEMBL6993063 0.82 HTR1A (0.41) ADRA1DADRA1AADRA1BHTR1AHTR1B

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