SCHEMBL13928757

SCHEMBL13928757

CCN(C(=O)C(C)Oc1cc(C)c(N)c(C)c1C)C1CCN(CC2(c3ccccc3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 12/20 0.36
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ FFAR2 O15552 1/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ OPRM1 P35372 1/20 0.32

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
SCHEMBL13928759 0.90 FFAR2 (0.42) CCR5KMT2AMEN1FFAR2
SCHEMBL13928763 0.83 HPGD (0.46) KMT2AMEN1SLC6A2
SCHEMBL13928749 0.82 CCR5 (0.43) CCR5KMT2AMEN1
SCHEMBL4202747 0.82 ALDH1A1 (0.42) KMT2AMEN1
SCHEMBL4214656 0.81 CCR5 (0.38) CCR5KDM5A
SCHEMBL13928734 0.79 POLB (0.46) CCR5KMT2AMEN1
SCHEMBL13928743 0.78 FFAR2 (0.39) CCR5FFAR2
SCHEMBL13928746 0.77 CCR5 (0.38) CCR5
SCHEMBL4207234 0.77 SLC6A4 (0.39) KMT2AMEN1SLC6A2SLC6A4
SCHEMBL13928756 0.75 CCR5 (0.37) CCR5SLC6A2SLC6A4OPRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488738-B2 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2009-02-10 — — US disclosed
US-7488738-B2 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2009-02-10 — — US disclosed
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