SCHEMBL6969331

SCHEMBL6969331

Cc1c(C)c2c(c(C)c1OCc1ccccc1)CCC(C)(CN1CCN(CCOc3ccc(C=O)cc3)CC1)O2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.41
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
MCHR1 Q99705 3/20 0.38
KCNH2 Q12809 2/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL6976325 0.88 MAOA (0.57) MAOBMAOAMEN1KMT2A
SCHEMBL6976332 0.88 MAOA (0.57) MAOBMAOAMEN1KMT2A
SCHEMBL7838082 0.84 MEN1 (0.49) MAOBMAOAMEN1MAPTKMT2A
SCHEMBL6968237 0.84 MEN1 (0.41) LTA4HKDM4EMEN1MAPTKMT2A
SCHEMBL6973296 0.83 USP2 (0.42) MCHR1MEN1MAPTKMT2ATDP1
SCHEMBL6973300 0.83 USP2 (0.42) MCHR1MEN1MAPTKMT2ATDP1
SCHEMBL6974891 0.83 TP53 (0.41) LTA4HKDM4EMEN1MAPTKMT2A
SCHEMBL6974885 0.83 TP53 (0.41) LTA4HKDM4EMEN1MAPTKMT2A
SCHEMBL6969675 0.82 MEN1 (0.38) LTA4HMAOBMCHR1KCNH2MEN1
SCHEMBL6976820 0.81 CYP1A2 (0.40) LTA4HHTTMAOBMAOAMCHR1

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 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
EP-0894089-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-02-03 EP disclosed
WO-1997041121-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1997-11-06 WO disclosed