SCHEMBL5795098

SCHEMBL5795098

CCCC(C(C)C)n1ccc2cc(-c3c(CC)cccc3CC)ncc21

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC2A1 P11166 1/20 0.31
C5AR1 P21730 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
SCHEMBL1762669 0.87 SLC2A1 (0.35) BRD4SLC6A2SLC2A1C5AR1
SCHEMBL1762995 0.82 DHFR (0.33) C5AR1
SCHEMBL1763005 0.81 MEN1 (0.37) BRD4C5AR1
SCHEMBL1762713 0.73 DGAT1 (0.42) C5AR1
SCHEMBL1762617 0.73 C5AR1 (0.38) C5AR1
SCHEMBL1762893 0.72 PTK2 (0.39)
SCHEMBL5796068 0.72 TLR8 (0.40)
SCHEMBL1762637 0.72 C5AR1 (0.37) C5AR1
SCHEMBL1762602 0.72 C5AR1 (0.37) C5AR1
SCHEMBL1762746 0.71 TSHR (0.47)

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