SCHEMBL4597065

SCHEMBL4597065

Cc1nc2c3c(c(C(=O)N4CC(F)C4)cn2c1C)CCC1(CCc2ccccc21)O3

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL4575118 0.89 HCRTR1 (0.30) HCRTR1HCRTR2
SCHEMBL4574346 0.89 HTT (0.34) HCRTR2LMNAHPGDSMN1; SMN2
SCHEMBL4596912 0.89 LMNA (0.35) LMNAHPGDSMN1; SMN2
SCHEMBL4595427 0.88 LMNA (0.35) LMNAHPGDSMN1; SMN2
SCHEMBL4574395 0.86 HCAR2 (0.35)
SCHEMBL4573882 0.82 SMN1; SMN2 (0.34) HCRTR1HPGDSMN1; SMN2
SCHEMBL4574391 0.76 MEN1 (0.30)
SCHEMBL4574534 0.75 CYP3A4 (0.31)
SCHEMBL4574083 0.73 TSHR (0.40) LMNAHPGDSMN1; SMN2
SCHEMBL4574520 0.72 SMN1; SMN2 (0.38) HCRTR1HPGDSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008071766-A2 SPIRO-INDENE SUBSTITUTED IMIDAZONAPHYTHYRIDINE AND PYRANOIMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF GASTRIC ACID SECRETION NYCOMED GMBH (DE) 2008-06-19 WO disclosed