Sugi Predict

Sugi Predict / Compounds / SCHEMBL13928759

SCHEMBL13928759

SCHEMBL13928759

Cc1cc(OC(C)C(=O)N(C)C2CCN(CC3(c4ccccc4)CC3)CC2)c(C)c(C)c1N

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 1/20 0.42
▸ CCR5 P51681 15/20 0.40
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34

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
SCHEMBL13928757 0.90 CCR5 (0.36) FFAR2CCR5MEN1KMT2A
SCHEMBL13928743 0.86 FFAR2 (0.39) FFAR2CCR5KCNH2
SCHEMBL13928734 0.86 POLB (0.46) CCR5MEN1KMT2AKCNH2
SCHEMBL13928763 0.84 HPGD (0.46) MEN1KMT2AKCNH2
SCHEMBL13928746 0.84 CCR5 (0.38) CCR5KCNH2
SCHEMBL4212629 0.84 FFAR2 (0.39) FFAR2CCR5KCNH2
SCHEMBL4368100 0.83 OPRM1 (0.48) CCR5MEN1KMT2AKCNH2
SCHEMBL13928715 0.81 DRD4 (0.43) CCR5MEN1KMT2A
SCHEMBL4208064 0.81 ALDH1A1 (0.43) CCR5MEN1KMT2A
SCHEMBL4218452 0.80 CCR5 (0.39) FFAR2CCR5

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
Send feedback