SCHEMBL5812818

SCHEMBL5812818

CCCC(CCC)n1cc(C2CCN(C(=O)O)CC2)c2cc(-c3c(CC)cccc3CC)ncc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 20/20 0.38
AXL P30530 10/20 0.35
FLT3 P36888 10/20 0.35
MERTK Q12866 10/20 0.35
MAP4K4 O95819 1/20 0.34
NTRK1 P04629 1/20 0.34
PDGFRA P16234 1/20 0.34
MELK Q14680 1/20 0.34
NTRK3 Q16288 1/20 0.34
NTRK2 Q16620 1/20 0.34
TNIK Q9UKE5 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
SCHEMBL1762730 0.93 IDO1 (0.36) TYRO3AXLFLT3MERTKMAP4K4
SCHEMBL1763188 0.89 TYRO3 (0.37) TYRO3AXLFLT3MERTK
SCHEMBL1762975 0.88 ALOX5AP (0.41)
SCHEMBL1762649 0.86 TYRO3 (0.41) TYRO3AXLFLT3MERTK
SCHEMBL1762782 0.82 PDE10A (0.33)
SCHEMBL1762703 0.79 GABRP (0.32)
SCHEMBL1762776 0.77 C5AR1 (0.31)
SCHEMBL1762598 0.76
SCHEMBL1762871 0.75 NR4A2 (0.37)
SCHEMBL1762996 0.75 NPC1 (0.38)

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-2006042102-A2 PYRROLO-PYRIDINE, PYRROLO-PYRIMIDINE AND RELATED HETEROCYCLIC COMPOUNDS NEUROGEN CORPORATION (US) 2006-04-20 WO disclosed