SCHEMBL22063769

SCHEMBL22063769

CC(=O)NC(=O)NCC(C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 19/20 0.54
▸ ADAMTS5 Q9UNA0 1/20 0.53
▸ KCNH2 Q12809 1/20 0.51

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 0.89 ADAMTS5 (0.51) CCR1ADAMTS5KCNH2
SCHEMBL22062940 0.87 ADAMTS5 (0.55) CCR1ADAMTS5KCNH2
SCHEMBL22063775 0.81 ADAMTS5 (0.55) CCR1ADAMTS5KCNH2
SCHEMBL22063764 0.80 ADAMTS5 (0.51) CCR1ADAMTS5KCNH2
SCHEMBL21424866 0.78 ADAMTS5 (0.51) CCR1ADAMTS5
SCHEMBL21424854 0.78 ADAMTS5 (0.51) CCR1ADAMTS5
SCHEMBL21693588 0.78 ADAMTS5 (0.49) CCR1ADAMTS5KCNH2
SCHEMBL19652150 0.76 CCR1 (0.70) CCR1ADAMTS5KCNH2
SCHEMBL23901417 0.76 ADAMTS5 (0.50) ADAMTS5
SCHEMBL22063187 0.74 ADAM17 (0.46) ADAMTS5

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
Send feedback