SCHEMBL7399145

SCHEMBL7399145

CC(C)(C)OC(=O)N1CCC(OCCOc2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.56
CHEK2 O96017 1/20 0.48
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
MEN1 O00255 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
SCHEMBL7401949 0.89 GPR119 (0.54) GPR119CHEK2
SCHEMBL30750710 0.87 GPR119 (0.54) GPR119CHEK2
SCHEMBL16385072 0.86 GPR119 (0.67) GPR119CHEK2KDM4EPKM
SCHEMBL29716457 0.85 GPR119 (0.53) GPR119
SCHEMBL3741314 0.85 GPR119 (0.53) GPR119
SCHEMBL1575733 0.85 GPR119 (0.72) GPR119CHEK2KDM4EPKM
SCHEMBL30750539 0.84 GPR119 (0.52) GPR119CHEK2
SCHEMBL30750614 0.84 GPR119 (0.52) GPR119CHEK2
SCHEMBL30750774 0.84 ALDH1A1 (0.56) GPR119KMT2AKDM4E
SCHEMBL1649132 0.83 GPR119 (0.64) GPR119CHEK2KMT2A

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