SCHEMBL1809017

SCHEMBL1809017

CCc1ccc(-c2[nH]nc(C(=O)O)c2C=O)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.40
PRKAB2 O43741 2/20 0.38
PRKAG1 P54619 2/20 0.38
PRKAA2 P54646 2/20 0.38
PRKAA1 Q13131 2/20 0.38
PRKAG3 Q9UGI9 2/20 0.38
PRKAG2 Q9UGJ0 2/20 0.38
PRKAB1 Q9Y478 2/20 0.38
CA12 O43570 1/20 0.38
ALPL P05186 1/20 0.38
CA9 Q16790 1/20 0.38
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK10 P53779 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL1806149 0.84 HCAR2 (0.42) HCAR2CA12ALPLCA9
SCHEMBL15471661 0.66 LMNA (0.47) LMNARAB9ASMN1; SMN2
SCHEMBL2056320 0.66 HAO1 (0.57) HCAR2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL11919262 0.66 PRKAG1 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL669282 0.66 RARB (0.54) RAB9ASMN1; SMN2
SCHEMBL1805098 0.64 PDE4D (0.33) HCAR2CA12ALPLCA9LMNA
SCHEMBL12109792 0.63 CYP3A4 (0.34) LMNASMN1; SMN2
SCHEMBL26036292 0.62 LMNA (0.44) LMNARAB9ASMN1; SMN2
SCHEMBL12109807 0.62 LMNA (0.38) LMNARAB9ASMN1; SMN2
SCHEMBL30191458 0.62 LMNA (0.38) LMNARAB9ASMN1; 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