SCHEMBL7400403

SCHEMBL7400403

COC(=O)c1ccc(OCCC2CCN(C(=O)OC(C)(C)C)CC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.51
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
SCN9A Q15858 1/20 0.48
CHEK2 O96017 1/20 0.47
FAAH O00519 1/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL7405208 0.89 GPR119 (0.52) GPR119KDM4EPKMSCN9ACHEK2
SCHEMBL31752872 0.88 CHEK2 (0.56) GPR119KDM4EPKMSCN9ACHEK2
SCHEMBL14426349 0.85 GPR119 (0.51) GPR119KDM4EPKMSCN9ACHEK2
SCHEMBL7402974 0.85 GPR119 (0.64) GPR119KDM4EPKMCHEK2MAPT
SCHEMBL10296175 0.84 GPR119 (0.56) GPR119KDM4EPKMFAAHMAPT
SCHEMBL7401143 0.84 GPR119 (0.62) GPR119TP53MAPTTHRB
SCHEMBL1575509 0.82 KDM4E (0.51) GPR119KDM4EPKMFAAH
SCHEMBL1575876 0.82 GPR119 (0.53) GPR119KDM4EPKMSCN9AFAAH
SCHEMBL7403698 0.82 SCN9A (0.51) GPR119KDM4EPKMSCN9ACHEK2
SCHEMBL1575979 0.82 GPR119 (0.53) GPR119KDM4EPKMFAAH

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