SCHEMBL7010353

SCHEMBL7010353

Cc1c(C(=O)N(C)C)sc2ncn(CCN3CCN(c4cccc5c4CCCC5)CC3)c(=O)c12

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 0.51
ADRA1D P25100 18/20 0.51
HTR1B P28222 18/20 0.51
ADRA1A P35348 18/20 0.51
ADRA1B P35368 18/20 0.51
HTR7 P34969 3/20 0.45
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL7011215 0.98 HTR1A (0.51) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7014563 0.88 HTR1A (0.53) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7012057 0.88 HTR1A (0.61) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7007932 0.85 HTR1A (0.60) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7014231 0.85 HTR1A (0.63) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7013844 0.85 HTR1A (0.62) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7013973 0.83 HTR1A (0.58) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7012872 0.83 HTR1A (0.62) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7016146 0.83 HTR1A (0.51) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7011681 0.81 HPGD (0.48) 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