SCHEMBL22063764

SCHEMBL22063764

CC(CNC(=O)NC(=O)S)C(=O)N1CCC(c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 2/20 0.51
▸ KCNH2 Q12809 2/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.48
▸ CCR1 P32246 13/20 0.48
▸ PRMT5 O14744 1/20 0.44
▸ WDR77 Q9BQA1 1/20 0.44
▸ NAMPT P43490 1/20 0.44

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
SCHEMBL19702754 0.91 ADAMTS5 (0.51) ADAMTS5KCNH2HRH3CCR1PRMT5
SCHEMBL21693588 0.89 ADAMTS5 (0.49) ADAMTS5KCNH2HRH3CCR1PRMT5
SCHEMBL22063769 0.80 CCR1 (0.54) ADAMTS5KCNH2CCR1
SCHEMBL24340329 0.79 ADAMTS5 (0.61) ADAMTS5KCNH2HRH3CCR1
SCHEMBL22063775 0.78 ADAMTS5 (0.55) ADAMTS5KCNH2CCR1
SCHEMBL22062940 0.78 ADAMTS5 (0.55) ADAMTS5KCNH2CCR1
SCHEMBL21424854 0.78 ADAMTS5 (0.51) ADAMTS5CCR1
SCHEMBL21424885 0.78 ADAMTS5 (0.53) ADAMTS5CCR1
SCHEMBL13588778 0.75 KCNH2 (0.64) ADAMTS5KCNH2HRH3CCR1NAMPT
SCHEMBL4029855 0.74 PRMT5 (0.58) KCNH2HRH3PRMT5WDR77

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-3468961-B1 5-[3-[PIPERIDIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS GALAPAGOS NV (BE) 2020-06-10 — — EP disclosed
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