SCHEMBL7013973

SCHEMBL7013973

Cc1c(C(=O)N(C)C)sc2ncn(CCN3CCCN(c4cccc5ccccc45)CC3)c(=O)c12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 0.58
ADRA1D P25100 16/20 0.58
HTR1B P28222 16/20 0.58
ADRA1A P35348 16/20 0.58
ADRA1B P35368 16/20 0.58
HTR7 P34969 4/20 0.49
DRD2 P14416 2/20 0.49
HTR2A P28223 2/20 0.49
DRD3 P35462 2/20 0.49
HTR2C P28335 1/20 0.46
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL7013844 0.97 HTR1A (0.62) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7007308 0.90 HTR1A (0.61) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7014939 0.88 HTR1A (0.63) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7010066 0.87 HTR1A (0.63) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7012057 0.87 HTR1A (0.61) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7014563 0.86 HTR1A (0.53) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7007932 0.86 HTR1A (0.60) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7012662 0.86 HTR1A (0.52) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7014231 0.84 HTR1A (0.63) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7012872 0.84 HTR1A (0.62) 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