SCHEMBL5228399

SCHEMBL5228399

CC(C)CNCc1c(OC(=O)O)sc2c(C3CCCCC3)c(-c3ccc(Cl)cc3)n(CC(=O)N(C)C3CCN(C(C)C)C3)c12

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.35
HRH3 Q9Y5N1 3/20 0.32
CCR5 P51681 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
SCHEMBL2991824 0.92 MCHR1 (0.36) MCHR1HRH3CCR5
SCHEMBL2985142 0.82 MCHR1 (0.37) MCHR1HRH3
SCHEMBL5228571 0.81 EGFR (0.39)
SCHEMBL5231883 0.81 MCHR1 (0.40) MCHR1HRH3CCR5
SCHEMBL2991825 0.80 MCHR1 (0.37) MCHR1HRH3CCR5
SCHEMBL2988690 0.78 MCHR1 (0.41) MCHR1HRH3CCR5
SCHEMBL5231614 0.74 EGFR (0.38) HRH3
SCHEMBL5232127 0.73 EGFR (0.38)
SCHEMBL2994293 0.72 EGFR (0.40)
SCHEMBL5231280 0.71 HRH3 (0.32) MCHR1HRH3

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
EP-1664059-B1 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 EP claimed