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Sugi Predict / Compounds / SCHEMBL7320864

SCHEMBL7320864

SCHEMBL7320864

COC(=O)C(CN)Cc1ccc(OCCCCC2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 12/20 0.60
▸ YAP1 P46937 3/20 0.54
▸ FAAH O00519 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ PKM P14618 1/20 0.43

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 0.91 YAP1 (0.63) GPR119YAP1KDM4EPKM
SCHEMBL7280692 0.89 GPR119 (0.62) GPR119YAP1FAAH
SCHEMBL7315022 0.89 GPR119 (0.64) GPR119YAP1FAAH
SCHEMBL7308698 0.88 GPR119 (0.63) GPR119YAP1FAAH
SCHEMBL7312363 0.87 GPR119 (0.62) GPR119YAP1
SCHEMBL7313355 0.87 KDM4E (0.55) GPR119YAP1KDM4EPKM
SCHEMBL7320543 0.86 GPR119 (0.59) GPR119YAP1
SCHEMBL7318599 0.86 GPR119 (0.54) GPR119YAP1
SCHEMBL7315176 0.86 YAP1 (0.59) GPR119YAP1
SCHEMBL7314939 0.86 YAP1 (0.57) GPR119YAP1KDM4EPKM

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