SCHEMBL7016146

SCHEMBL7016146

Cc1ccc(C)c(N2CCN(CCn3cnc4sc(C(=O)N(C)C)c(C)c4c3=O)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.51
ADRA1D P25100 5/20 0.51
HTR1B P28222 5/20 0.51
ADRA1A P35348 5/20 0.51
ADRA1B P35368 5/20 0.51
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
POLB P06746 2/20 0.45
HTR7 P34969 4/20 0.45
RXFP1 Q9HBX9 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 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
SCHEMBL7012057 0.90 HTR1A (0.61) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7014563 0.87 HTR1A (0.53) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7007932 0.85 HTR1A (0.60) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7009792 0.83 HTR1A (0.56) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7015282 0.83 HTR1A (0.54) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7013844 0.83 HTR1A (0.62) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7012872 0.83 HTR1A (0.62) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7014231 0.83 HTR1A (0.63) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7011681 0.83 HPGD (0.48) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7011215 0.83 HTR1A (0.51) 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