SCHEMBL22892271

SCHEMBL22892271

CCC(=O)N1CCN(c2cc(CC)c(Cl)c(OC)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 11/20 0.53
▸ ADAMTS5 Q9UNA0 2/20 0.49
▸ ALK Q9UM73 1/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ADAMTS4 O75173 1/20 0.48

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
SCHEMBL22892278 0.92 ADAMTS5 (0.53) CCR1ADAMTS5ALKMEN1KMT2A
SCHEMBL22892381 0.88 ADAMTS5 (0.61) CCR1ADAMTS5ALKMEN1KMT2A
SCHEMBL22892242 0.86 CCR1 (0.62) CCR1ADAMTS5ALKMEN1KMT2A
SCHEMBL22892289 0.86 ALK (0.48) CCR1ADAMTS5ALKMEN1KMT2A
SCHEMBL19002660 0.82 KMT2A (0.53) MEN1KMT2A
SCHEMBL22892267 0.81 KMT2A (0.53) CCR1ADAMTS5ALKMEN1KMT2A
SCHEMBL22892324 0.81 CCR1 (0.50) CCR1ADAMTS5ALKMEN1KMT2A
SCHEMBL12765632 0.81 CCR1 (0.65) CCR1ALK
SCHEMBL19709329 0.79 ADRB1 (0.50) ALK
SCHEMBL19691591 0.78 ADAMTS5 (0.83) ADAMTS5ADAMTS4

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-3468955-B1 5-[3-[PIPERAZIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS GALAPAGOS NV (BE) 2021-01-06 — — EP disclosed
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