SCHEMBL1806508

SCHEMBL1806508

CCOC(=O)c1c(C)n[nH]c1-c1c(F)cccc1CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.49
NPC1 O15118 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 2/20 0.43
CFTR P13569 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALOX5 P09917 2/20 0.40

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
SCHEMBL1807102 0.88 PDE4D (0.47) PDE4DNPC1KMT2ARAB9ACFTR
SCHEMBL1804789 0.87 PDE4D (0.46) PDE4DNPC1KMT2ARAB9ACFTR
SCHEMBL1805132 0.85 NPC1 (0.43) PDE4DNPC1KMT2ARAB9ACA12
SCHEMBL1805096 0.84 PDE4D (0.47) PDE4DNPC1KMT2ARAB9ACFTR
SCHEMBL1809876 0.83 PDE4D (0.46) PDE4DNPC1KMT2ARAB9ACA12
SCHEMBL1806318 0.80 PDE4D (0.50) PDE4DNPC1KMT2ARAB9ACA12
SCHEMBL1806224 0.79 PDE4D (0.41) PDE4DNPC1KMT2ARAB9ACA12
SCHEMBL1803878 0.78 SLC6A2 (0.40) PDE4DNPC1KMT2ARAB9AALDH1A1
SCHEMBL1806987 0.76 PDE4D (0.39) PDE4DNPC1KMT2ARAB9ACFTR
SCHEMBL19209480 0.74 PDE4D (0.59) PDE4DNPC1KMT2ARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2501704-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS Eli Lilly and Company (US) 2012-09-26 EP disclosed
WO-2011060217-A1 SPIROPIPERIDINE COMPOUNDS AS ORL-1 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-05-19 WO disclosed