SCHEMBL4830403

SCHEMBL4830403

[CH2]CC(C)C(CC1=Nc2ccccc2CC1=O)C(=O)NC1CCCNCC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
SMYD3 Q9H7B4 1/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
RXFP1 Q9HBX9 2/20 0.31
POLB P06746 1/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
SSTR1 P30872 1/20 0.31
SSTR4 P31391 1/20 0.31

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
SCHEMBL4764953 0.71 SLC6A2 (0.38) ALDH1A1
SCHEMBL19358932 0.68 GBA1 (0.45) HTR2A
SCHEMBL7497775 0.63 ACE (0.55) SMN1; SMN2TDP1
SCHEMBL11371357 0.61 ALDH1A1 (0.45) SMN1; SMN2KMT2AMEN1HPGDALDH1A1
SCHEMBL27626441 0.61 CYP3A4 (0.51) HTR4SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL6009184 0.61 GRM7 (0.64) HTR4HPGDCYP3A4CYP2C19RAB9A
SCHEMBL21493560 0.60 NPC1 (0.55) SMN1; SMN2KMT2AMEN1HPGDCYP2C19
SCHEMBL21493542 0.60 NPC1 (0.55) SMN1; SMN2KMT2AMEN1HPGDCYP2C19
SCHEMBL21493561 0.60 NPC1 (0.55) SMN1; SMN2KMT2AMEN1HPGDCYP2C19
SCHEMBL7449252 0.60 EPHX1 (0.49) HTR4SMN1; SMN2SMYD3HPGDALDH1A1

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-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed