SCHEMBL7014563

SCHEMBL7014563

Cc1cccc(N2CCN(CCn3cnc4sc(C(=O)N(C)C)c(C)c4c3=O)CC2)c1C

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 0.53
ADRA1D P25100 13/20 0.53
HTR1B P28222 13/20 0.53
ADRA1A P35348 13/20 0.53
ADRA1B P35368 13/20 0.53
HTR7 P34969 3/20 0.49
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL7012057 0.94 HTR1A (0.61) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7007932 0.90 HTR1A (0.60) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7013844 0.89 HTR1A (0.62) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7011215 0.88 HTR1A (0.51) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7010353 0.88 HTR1A (0.51) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7014231 0.87 HTR1A (0.63) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7012872 0.87 HTR1A (0.62) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7016146 0.87 HTR1A (0.51) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7013973 0.86 HTR1A (0.58) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7011681 0.85 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 2 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