SCHEMBL7236274

SCHEMBL7236274

Cc1nc2ccccc2n1C1CC2CSCC(C1)N2CC[C@H](NC(=O)O)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 19/20 0.82
▸ KCNH2 Q12809 3/20 0.75

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
SCHEMBL1573985 0.91 CCR5 (1.00) CCR5KCNH2
SCHEMBL7237629 0.91 CCR5 (1.00) CCR5KCNH2
SCHEMBL1573941 0.89 CCR5 (0.82) CCR5KCNH2
SCHEMBL7244431 0.86 CCR5 (1.00) CCR5KCNH2
SCHEMBL7244425 0.86 CCR5 (1.00) CCR5KCNH2
SCHEMBL7244674 0.86 CCR5 (1.00) CCR5KCNH2
SCHEMBL7241883 0.83 CCR5 (1.00) CCR5KCNH2
SCHEMBL7239042 0.83 CCR5 (0.87) CCR5KCNH2
SCHEMBL7244123 0.83 CCR5 (1.00) CCR5KCNH2
SCHEMBL1574000 0.83 CCR5 (0.81) CCR5KCNH2

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
US-6586430-B1 Administering azabicyclo compounds to treat human immunodeficiency virus infections and respiratory system disorders PFIZER INC. 2003-07-01 — — US disclosed
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