SCHEMBL6978669

SCHEMBL6978669

Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@@](C)(CN1CCC[C@H]1COc1cccc(C=C3SC(=O)NC3=O)c1)O2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
GPR119 Q8TDV5 2/20 0.43
MMP13 P45452 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42
PTPN1 P18031 4/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
AKR1B1 P15121 2/20 0.39
NOD2 Q9HC29 1/20 0.39
FAAH O00519 2/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
IDH1 O75874 1/20 0.37
XDH P47989 1/20 0.37

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
SCHEMBL6978665 1.00 CNR1 (0.43) CNR1GPR119MMP13ADAMTS5PTPN1
SCHEMBL6975793 0.94 HPGD (0.47) GPR119MMP13PTPN1HPGDPOLB
SCHEMBL6975305 0.94 HPGD (0.47) GPR119MMP13PTPN1HPGDPOLB
SCHEMBL6975790 0.94 HPGD (0.47) GPR119MMP13PTPN1HPGDPOLB
SCHEMBL6970447 0.94 HPGD (0.47) GPR119MMP13PTPN1HPGDPOLB
SCHEMBL8580564 0.94 XDH (0.46) CNR1GPR119MMP13ADAMTS5PTPN1
SCHEMBL6976209 0.88 FAAH (0.42) POLBMAOAMAOBFAAH
SCHEMBL6976212 0.88 FAAH (0.42) POLBMAOAMAOBFAAH
SCHEMBL6958917 0.84 CNR1 (0.43) CNR1GPR119MMP13ADAMTS5PTPN1
SCHEMBL6958913 0.84 CNR1 (0.43) CNR1GPR119MMP13ADAMTS5PTPN1

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
EP-0894089-B9 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM REDDYS LAB LTD DR (IN) 2003-04-02 EP disclosed
EP-0894089-B1 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM REDDYS LAB LTD DR (IN) 2002-10-23 EP disclosed