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SCHEMBL7313355

SCHEMBL7313355

COC(=O)C(CNC(=O)c1ccccc1)Cc1ccc(OCCCCC2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ YAP1 P46937 4/20 0.54
▸ GPR119 Q8TDV5 11/20 0.54
▸ HDAC1 Q13547 1/20 0.46
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7313782 0.90 YAP1 (0.63) KDM4EPKMYAP1GPR119
SCHEMBL7315176 0.88 YAP1 (0.59) YAP1GPR119
SCHEMBL7320864 0.87 GPR119 (0.60) KDM4EPKMYAP1GPR119
SCHEMBL7314939 0.85 YAP1 (0.57) KDM4EPKMYAP1GPR119
SCHEMBL7312363 0.83 GPR119 (0.62) YAP1GPR119
SCHEMBL7315022 0.83 GPR119 (0.64) YAP1GPR119
SCHEMBL7308698 0.82 GPR119 (0.63) YAP1GPR119
SCHEMBL7280692 0.81 GPR119 (0.62) YAP1GPR119
SCHEMBL7309801 0.81 YAP1 (0.63) YAP1GPR119MAPT
SCHEMBL7318632 0.81 GPR119 (0.56) YAP1GPR119

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993016697-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1993-09-02 — — WO claimed
WO-1993016697-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1993-09-02 — — WO disclosed
US-5227490-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1993-07-13 — — US disclosed