SCHEMBL7401949

SCHEMBL7401949

COC(=O)c1ccc(OCCOC2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.54
MAPT P10636 3/20 0.52
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 1/20 0.48
CHEK2 O96017 1/20 0.47
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 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
SCHEMBL7399145 0.89 GPR119 (0.56) GPR119CHEK2
SCHEMBL7402974 0.87 GPR119 (0.64) GPR119MAPTALDH1A1CHEK2
SCHEMBL7376662 0.86 GPR119 (0.70) GPR119ALDH1A1CHEK2
SCHEMBL30750710 0.85 GPR119 (0.54) GPR119MAPTALDH1A1RAB9ACHEK2
SCHEMBL240683 0.84 GPR119 (0.61) GPR119ALDH1A1CHEK2PDE4APDE4B
SCHEMBL3741314 0.83 GPR119 (0.53) GPR119ALDH1A1
SCHEMBL29716457 0.83 GPR119 (0.53) GPR119MAPT
SCHEMBL21906814 0.83 GPR119 (0.51) GPR119ALDH1A1CHEK2
SCHEMBL241130 0.83 GPR119 (0.59) GPR119ALDH1A1CHEK2
SCHEMBL30750614 0.83 GPR119 (0.52) GPR119MAPTALDH1A1RAB9ACHEK2

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-5648368-A ANTICOAGULANTS MERCK & CO., INC. (US) 1997-07-15 US disclosed
WO-1994012181-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-06-09 WO disclosed