SCHEMBL7372423

SCHEMBL7372423

CC(C)(C)OC(=O)N1CCC(CCCOc2ccc(C(=O)NCCCC(=O)O)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 11/20 0.61
▸ KDM4E B2RXH2 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ FAAH O00519 1/20 0.48
▸ HDAC1 Q13547 1/20 0.47
▸ CHEK2 O96017 1/20 0.46

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
SCHEMBL1576095 0.89 GPR119 (0.64) GPR119KDM4EPKMHDAC1CHEK2
SCHEMBL7375564 0.89 GPR119 (0.57) GPR119KDM4EPKMFAAHHDAC1
SCHEMBL1575733 0.84 GPR119 (0.72) GPR119KDM4EPKMFAAHCHEK2
SCHEMBL7376662 0.82 GPR119 (0.70) GPR119KDM4EPKMFAAHCHEK2
SCHEMBL1575654 0.82 GPR119 (0.64) GPR119KDM4EPKMFAAHCHEK2
SCHEMBL26668533 0.81 KDM4E (0.70) GPR119KDM4EPKM
SCHEMBL1924373 0.80 GPR119 (0.70) GPR119FAAH
SCHEMBL7376952 0.80 ITGB3 (0.60) —
SCHEMBL7405900 0.79 KDM4E (0.57) GPR119KDM4EPKMHDAC1CHEK2
SCHEMBL16385072 0.78 GPR119 (0.67) GPR119KDM4EPKMCHEK2

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-5563158-A CARDIOVASCULAR DISORDERS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-10-08 — — US disclosed
WO-1995018111-A1 COMPOUNDS CONTAINING BASIC AND ACIDIC TERMINI USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-06 — — WO disclosed
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