SCHEMBL8285518

SCHEMBL8285518

Cc1nc2c(nc1C)C(n1c(NCCCN3CCOCC3)nc3ccc(CCl)cc31)CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.39
▸ BCHE P06276 6/20 0.38
▸ ACHE P22303 6/20 0.38
▸ APP P05067 1/20 0.38
▸ TRPC5 Q9UL62 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LCK P06239 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ CXCR4 P61073 1/20 0.36
▸ USP2 O75604 1/20 0.36

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
SCHEMBL8284443 0.92 BCHE (0.40) HRH3BCHEACHEAPPTRPC5
SCHEMBL8284411 0.88 NME2 (0.40) HRH3BCHEACHEAPPALDH1A1
SCHEMBL8284441 0.86 TRPC5 (0.42) HRH3BCHEACHEAPPTRPC5
SCHEMBL4863925 0.84 BCHE (0.37) HRH3BCHEACHEAPPALDH1A1
SCHEMBL4866131 0.81 EGFR (0.34) HRH3BCHEACHEAPPALDH1A1
SCHEMBL8283653 0.76 TRPC5 (0.50) TRPC5ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14271721 0.74 — —
SCHEMBL8241916 0.71 TRPC5 (0.49) TRPC5ALDH1A1KDM4EHPGDLMNA
SCHEMBL8285136 0.70 TRPC5 (0.47) TRPC5ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8284458 0.69 TRPC5 (0.48) TRPC5ALDH1A1KDM4EGLAGAA

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-2005058871-A1 MORPHOLINYL CONTAINING BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-06-30 — — WO disclosed
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