SCHEMBL7981844

SCHEMBL7981844

O=C1c2ccccc2C(=O)N1Cc1ccc2c(c1)CN(CCCc1ccccc1)C2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.55
ADRA1A P35348 3/20 0.55
ADRA1B P35368 3/20 0.55
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47
DRD3 P35462 1/20 0.47
KMT2A Q03164 2/20 0.46
CASP3 P42574 1/20 0.46
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7982882 0.78 SIGMAR1 (0.53)
SCHEMBL7984485 0.78 NAMPT (0.60)
SCHEMBL30371663 0.73 TDP1 (0.86) TDP1L3MBTL1CASP3PKMTSHR
SCHEMBL45050 0.73 TDP1 (0.86) TDP1L3MBTL1CASP3PKMTSHR
SCHEMBL20358477 0.72 HTR1A (0.80) HTR1AHTR7DRD3
SCHEMBL7985762 0.72 OPRM1 (0.43)
SCHEMBL10382817 0.71 SIGMAR1 (0.58)
SCHEMBL23349346 0.71 KMT2A (0.51) ADRA1DADRA1AADRA1BKMT2ACASP3
SCHEMBL29371005 0.71 HTR1A (0.55) HTR1AHTR7DRD3KMT2A
SCHEMBL28866116 0.71 ALDH1A1 (0.52) ADRA1DADRA1AADRA1BKMT2ACASP3

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
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 WO disclosed