SCHEMBL7005853

SCHEMBL7005853

Cc1c(C(=O)N(C)C)sc2ncn(CCN3CCC(c4cccc5ccccc45)CC3)c(=O)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.45
ADRA1D P25100 4/20 0.45
HTR1B P28222 4/20 0.45
ADRA1A P35348 4/20 0.45
ADRA1B P35368 4/20 0.45
HRH3 Q9Y5N1 1/20 0.44
DRD2 P14416 2/20 0.44
SLC6A4 P31645 1/20 0.44
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.43
THRB P10828 1/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.41
HTR7 P34969 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR2A P28223 1/20 0.40
DRD3 P35462 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL7012836 0.87 KDM4E (0.49) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7103370 0.86 HTR1A (0.48) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7013844 0.85 HTR1A (0.62) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7013973 0.83 HTR1A (0.58) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7012662 0.82 HTR1A (0.52) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7014939 0.80 HTR1A (0.63) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7014582 0.80 HTR1A (0.65) HTR1AADRA1DHTR1BADRA1AADRA1B
Water SCHEMBL7720208 0.79 HTR1A (0.64) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7720351 0.79 HTR1A (0.67) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7012057 0.78 HTR1A (0.61) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988306-B1 3-SUBSTITUTED 3,4 DIHYDRO-THIENO 2, 3-D]PYRIMIDINE DERIVATIVES AND PRODUCTION AND USE OF THE SAME ABBOTT GMBH & CO KG (DE) 2003-07-09 EP disclosed
US-6387912-B1 STROKE THERAPY BASF AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed
US-6159962-A 3-substituted 3,4-dihydro-thieno[2,3-D]pyrimidine derivatives and production and use of the same BASF AKTIENGESELLSCHAFT (DE) 2000-12-12 US disclosed