SCHEMBL6993375

SCHEMBL6993375

CN1CCc2c(sc3c2C([N])N(CCCN2CCN(c4cccc(O)c4)CC2)C=N3)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
DRD2 P14416 3/20 0.41
HTR7 P34969 11/20 0.38
DRD3 P35462 2/20 0.35
KCNH2 Q12809 1/20 0.35
HTR1A P08908 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR1B P28222 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34

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
SCHEMBL6989660 0.85 HTR1A (0.42) DRD2HTR7DRD3HTR1AADRA1D
SCHEMBL6996350 0.84 HTR1A (0.39) DRD2HTR1AADRA1DHTR1BADRA1A
SCHEMBL6992477 0.83 DRD2 (0.39) DRD2HTR7DRD3HTR1AADRA1D
SCHEMBL6995968 0.82 HTR1A (0.51) DRD2HTR7DRD3HTR1AADRA1D
SCHEMBL7092290 0.82 HTR1A (0.53) DRD2HTR7DRD3HTR1AADRA1D
SCHEMBL6998070 0.82 HTR1A (0.44) DRD2HTR7DRD3HTR1AADRA1D
SCHEMBL6993063 0.80 HTR1A (0.41) DRD2HTR7DRD3HTR1AADRA1D
SCHEMBL6997280 0.79 HTR1A (0.53) DRD2HTR7DRD3HTR1AADRA1D
SCHEMBL6994228 0.79 HTR1A (0.48) DRD2HTR7DRD3HTR1AADRA1D
SCHEMBL6991651 0.78 HTR1A (0.41) DRD2HTR7DRD3HTR1AADRA1D

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