SCHEMBL4575118

SCHEMBL4575118

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

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
SPR P35270 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
SCHEMBL4596912 0.89 LMNA (0.35) SPR
SCHEMBL4574346 0.89 HTT (0.34) HCRTR2SPR
SCHEMBL4597065 0.89 HCRTR1 (0.33) HCRTR1HCRTR2
SCHEMBL4595427 0.89 LMNA (0.35) CNR1SPR
SCHEMBL4574395 0.87 HCAR2 (0.35)
SCHEMBL4573882 0.83 SMN1; SMN2 (0.34) HCRTR1
SCHEMBL5328763 0.82 GBA1 (0.31) SPR
SCHEMBL4574391 0.77 MEN1 (0.30)
SCHEMBL4574534 0.76 CYP3A4 (0.31)
SCHEMBL5328532 0.74 RIPK1 (0.38) HCRTR1HCRTR2SPR

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