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Sugi Predict / Compounds / SCHEMBL3391709

SCHEMBL3391709

SCHEMBL3391709

CC(C)CN1C(=O)N(Cc2ccc(S(C)(=O)=O)cc2)C(=O)C12CCN(CC1CN(C(=O)CC(C)(C)C)CC1c1ccccc1)CC2

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 2/20 0.39
▸ WDR77 Q9BQA1 2/20 0.39
▸ CCR5 P51681 17/20 0.39
▸ KDM1A O60341 1/20 0.37
▸ MAOB P27338 1/20 0.37

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
SCHEMBL3391711 1.00 PRMT5 (0.39) PRMT5WDR77CCR5KDM1AMAOB
Hydrochloric Acid SCHEMBL3390433 0.99 PRMT5 (0.39) PRMT5WDR77CCR5KDM1AMAOB
Hydrochloric Acid SCHEMBL3390431 0.99 PRMT5 (0.39) PRMT5WDR77CCR5KDM1AMAOB
SCHEMBL3395028 0.93 CCR5 (0.40) PRMT5WDR77CCR5KDM1AMAOB
SCHEMBL3395032 0.93 CCR5 (0.40) PRMT5WDR77CCR5KDM1AMAOB
Hydrochloric Acid SCHEMBL3394545 0.92 CCR5 (0.39) PRMT5WDR77CCR5KDM1AMAOB
Hydrochloric Acid SCHEMBL3394549 0.92 CCR5 (0.39) PRMT5WDR77CCR5KDM1AMAOB
SCHEMBL3393767 0.92 CCR5 (0.40) PRMT5WDR77CCR5KDM1AMAOB
SCHEMBL3393764 0.92 CCR5 (0.40) PRMT5WDR77CCR5KDM1AMAOB
Hydrochloric Acid SCHEMBL3393838 0.91 CCR5 (0.39) PRMT5WDR77CCR5KDM1AMAOB

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-7709642-B2 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2010-05-04 — — US claimed