SCHEMBL6967496

SCHEMBL6967496

Cc1c(C)c2c(c(C)c1OCc1ccccc1)C(CN1CCC[C@H]1COc1ccc(C=C3SC(=O)NC3=O)cc1)C(C)(C)O2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 14/20 0.47
PTPN1 P18031 2/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
POLB P06746 1/20 0.47
MMP3 P08254 1/20 0.41
MMP13 P45452 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6970975 1.00 HPGD (0.47) HPGDPTPN1MAOAMAOBPOLB
SCHEMBL6969419 1.00 HPGD (0.47) HPGDPTPN1MAOAMAOBPOLB
Hydrochloric Acid SCHEMBL6958761 0.99 HPGD (0.47) HPGDPTPN1MAOAMAOBPOLB
Maleic Acid SCHEMBL6974160 0.96 HPGD (0.44) HPGDPTPN1MAOAMAOBPOLB
SCHEMBL6958917 0.94 CNR1 (0.43) HPGDPTPN1MAOAMAOBPOLB
SCHEMBL6958913 0.94 CNR1 (0.43) HPGDPTPN1MAOAMAOBPOLB
SCHEMBL8522230 0.89 KCNH2 (0.39)
SCHEMBL8305155 0.87 HPGD (0.46) HPGD
SCHEMBL6969819 0.87 HPGD (0.46) HPGD
SCHEMBL6962856 0.87 HPGD (0.46) HPGD

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 4 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 claimed
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 claimed
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