SCHEMBL7015282

SCHEMBL7015282

Cc1c(C(=O)N(C)C)sc2ncn(CCN3CCN(c4cc(Cl)cc(Cl)c4)CC3)c(=O)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.54
HTR7 P34969 4/20 0.54
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADRA1D P25100 5/20 0.44
HTR1B P28222 5/20 0.44
ADRA1A P35348 5/20 0.44
ADRA1B P35368 5/20 0.44
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
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
SCHEMBL7007932 0.86 HTR1A (0.60) HTR1AHTR7HPGDPOLBADRA1D
SCHEMBL7011681 0.85 HPGD (0.48) HTR1AHTR7HPGDPOLBCYP3A4
Hydrochloric Acid SCHEMBL7722346 0.84 HPGD (0.48) HTR1AHTR7HPGDPOLBCYP3A4
SCHEMBL7015088 0.83 HTR1A (0.52) HTR1AHTR7HPGDPOLBCYP3A4
SCHEMBL7016146 0.83 HTR1A (0.51) HTR1AHTR7HPGDPOLBADRA1D
SCHEMBL7012057 0.83 HTR1A (0.61) HTR1AHTR7HPGDPOLBADRA1D
SCHEMBL7012098 0.82 RXFP1 (0.54) HTR1AHTR7HPGDPOLBADRA1D
SCHEMBL7014563 0.82 HTR1A (0.53) HTR1AHTR7HPGDPOLBADRA1D
SCHEMBL7009792 0.81 HTR1A (0.56) HTR1AHTR7CYP3A4CYP2D6CYP2C9
SCHEMBL7014231 0.80 HTR1A (0.63) HTR1AHTR7ADRA1DHTR1BADRA1A

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