SCHEMBL6989660

SCHEMBL6989660

CN1CCc2c(sc3c2C([N])N(CCCN2CCN(c4ccccc4O)CC2)C=N3)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 0.42
ADRA1B P35368 13/20 0.42
ADRA1D P25100 12/20 0.42
HTR1B P28222 12/20 0.42
ADRA1A P35348 12/20 0.42
HTR7 P34969 7/20 0.38
HTR2C P28335 5/20 0.38
HTR1D P28221 4/20 0.38
HTR2B P41595 4/20 0.38
HTR5A P47898 4/20 0.38
HTR6 P50406 4/20 0.38
HTR2A P28223 3/20 0.38
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37

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
SCHEMBL6995968 0.91 HTR1A (0.51) HTR1AADRA1BADRA1DHTR1BADRA1A
SCHEMBL6989795 0.91 HTR1A (0.52) HTR1AADRA1BADRA1DHTR1BADRA1A
SCHEMBL6998070 0.90 HTR1A (0.44) HTR1AADRA1BADRA1DHTR1BADRA1A
SCHEMBL6993063 0.88 HTR1A (0.41) HTR1AADRA1BADRA1DHTR1BADRA1A
SCHEMBL7092290 0.88 HTR1A (0.53) HTR1AADRA1BADRA1DHTR1BADRA1A
SCHEMBL6997280 0.87 HTR1A (0.53) HTR1AADRA1BADRA1DHTR1BADRA1A
SCHEMBL6994228 0.87 HTR1A (0.48) HTR1AADRA1BADRA1DHTR1BADRA1A
SCHEMBL6991651 0.86 HTR1A (0.41) HTR1AADRA1BADRA1DHTR1BADRA1A
SCHEMBL6993375 0.85 OPRM1 (0.43) HTR1AADRA1BADRA1DHTR1BADRA1A
SCHEMBL6992477 0.84 DRD2 (0.39) HTR1AADRA1BADRA1DHTR1BADRA1A

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