SCHEMBL1573869

SCHEMBL1573869

CC1CCN(C(=O)Oc2n[nH]c3cc(C(=O)N4CCC(C)CC4)ccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.49
ALDH1A1 P00352 2/20 0.49
TP53 P04637 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.44
ACHE P22303 1/20 0.44
HTT P42858 1/20 0.44
ADORA2A P29274 1/20 0.43
CNR2 P34972 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 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
SCHEMBL1573892 0.89 ALDH1A1 (0.46) HPGDALDH1A1TP53NPC1RAB9A
SCHEMBL1573947 0.86 GAA (0.46) HPGDALDH1A1TP53NPC1RAB9A
SCHEMBL1573535 0.85 GAA (0.45) HPGDALDH1A1TP53NPC1RAB9A
SCHEMBL1573835 0.85 GAA (0.45) HPGDALDH1A1TP53NPC1RAB9A
SCHEMBL1574523 0.85 ALDH1A1 (0.46) HPGDALDH1A1TP53NPC1RAB9A
SCHEMBL1573823 0.85 GAA (0.45) HPGDALDH1A1TP53NPC1RAB9A
SCHEMBL1574490 0.83 LIPE (0.50) HPGDALDH1A1TP53NPC1RAB9A
SCHEMBL1573881 0.83 GAA (0.43) HPGDALDH1A1TP53NPC1RAB9A
SCHEMBL1573600 0.82 RAB9A (0.58) HPGDALDH1A1TP53NPC1RAB9A
SCHEMBL1576556 0.82 ALDH1A1 (0.45) HPGDALDH1A1SMN1; SMN2GAAHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713779-B1 INDAZOLE DERIVATIVES AS INHIBITORS OF HORMONE-SENSITIVE LIPASES SANOFI AVENTIS DEUTSCHLAND (DE) 2011-04-13 EP disclosed