SCHEMBL7012872

SCHEMBL7012872

COc1ccccc1N1CCN(CCn2cnc3sc(C(=O)N(C)C)c(C)c3c2=O)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.62
ADRA1B P35368 9/20 0.62
ADRA1D P25100 8/20 0.62
HTR1B P28222 8/20 0.62
ADRA1A P35348 8/20 0.62
HTR7 P34969 1/20 0.57
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
KDM4E B2RXH2 1/20 0.50
PPARG P37231 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
NR2E3 Q9Y5X4 1/20 0.50
NCOR2 Q9Y618 1/20 0.50

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
SCHEMBL7014998 0.93 HTR1A (0.61) HTR1AADRA1BADRA1DHTR1BADRA1A
SCHEMBL7009792 0.90 HTR1A (0.56) HTR1AADRA1BADRA1DHTR1BADRA1A
SCHEMBL7012057 0.90 HTR1A (0.61) HTR1AADRA1BADRA1DHTR1BADRA1A
SCHEMBL7007932 0.89 HTR1A (0.60) HTR1AADRA1BADRA1DHTR1BADRA1A
SCHEMBL7014563 0.87 HTR1A (0.53) HTR1AADRA1BADRA1DHTR1BADRA1A
SCHEMBL7014231 0.87 HTR1A (0.63) HTR1AADRA1BADRA1DHTR1BADRA1A
SCHEMBL7013844 0.87 HTR1A (0.62) HTR1AADRA1BADRA1DHTR1BADRA1A
SCHEMBL7014582 0.86 HTR1A (0.65) HTR1AADRA1BADRA1DHTR1BADRA1A
SCHEMBL7012836 0.85 KDM4E (0.49) HTR1AADRA1BADRA1DHTR1BADRA1A
Water SCHEMBL7720208 0.85 HTR1A (0.64) 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 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