SCHEMBL5162032

SCHEMBL5162032

Cc1c(Cc2ccccc2)c(Cl)cc2nc(N3CCCC3)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 9/20 0.43
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
TSHR P16473 3/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALKBH3 Q96Q83 2/20 0.40
MGLL Q99685 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL7341286 0.71 BCHE (0.54) NPY5RBCHEACHETSHRHTT
SCHEMBL17487384 0.66 GFER (0.48) NPY5RBCHEACHETSHRNPC1
SCHEMBL13217758 0.63 GFER (0.51) BCHEACHETSHRNPC1TP53
SCHEMBL2717363 0.63 HTT (0.49) HTTHPGDMEN1KMT2AALDH1A1
SCHEMBL5775130 0.63 NPY5R (0.64) NPY5RMEN1KMT2A
SCHEMBL5475623 0.63 LMNA (0.57) NPY5RHTTTP53HPGDSMN1; SMN2
SCHEMBL5475186 0.62 HTT (0.47) TSHRHTTHPGDGFERSMN1; SMN2
SCHEMBL5475680 0.62 LMNA (0.56) NPY5RHTTTP53HPGDGFER
Hydrochloric Acid SCHEMBL5775109 0.61 NPY5R (0.61) NPY5RMEN1KMT2A
SCHEMBL7341282 0.61 BCHE (0.54) NPY5RBCHEACHETSHRHTT

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015051479-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO disclosed
EP-1496896-A4 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2007-10-31 EP disclosed
EP-1551962-A4 MITOTIC KINESIN BINDING SITE MERCK & CO INC (US) 2007-08-01 EP disclosed
EP-1509507-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2006-09-13 EP disclosed
EP-1494675-A4 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2006-07-19 EP disclosed
EP-1680099-A2 HDL-BOOSTING COMBINATION THERAPY COMPLEXES JJ Pharma, Inc. (US) 2006-07-19 EP disclosed
EP-1496906-A4 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2006-05-03 EP disclosed
EP-1465896-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2006-01-11 EP disclosed
EP-1481077-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2006-01-11 EP disclosed
EP-1551812-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2006-01-04 EP disclosed
WO-2003105855-A1 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-12-24 WO disclosed
WO-2003099211-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-12-04 WO disclosed
WO-2003086403-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2003-10-23 WO disclosed
WO-2003086279-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2003-10-23 WO disclosed
EP-1494675-A2 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2003-10-23 EP disclosed
WO-2003086394-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2003-10-23 WO disclosed
WO-2003084473-A2 METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2003-10-16 WO disclosed
WO-2003049678-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-06-19 WO disclosed
WO-2003049679-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-06-19 WO disclosed
WO-2003050122-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-06-19 WO disclosed