SCHEMBL6961833

SCHEMBL6961833

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.41
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
KCNH2 Q12809 2/20 0.39
MCHR1 Q99705 2/20 0.39
SPHK1 Q9NYA1 5/20 0.38
SPHK2 Q9NRA0 5/20 0.38
POLB P06746 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNB3 Q05901 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL8522230 0.92 KCNH2 (0.39) FAAHKCNH2MCHR1SPHK1SPHK2
SCHEMBL6958917 0.88 CNR1 (0.43) MAOAMAOBPOLB
SCHEMBL6958913 0.88 CNR1 (0.43) MAOAMAOBPOLB
SCHEMBL8523688 0.88 FAAH (0.57) FAAHKCNH2MCHR1SPHK1SPHK2
SCHEMBL6963235 0.85 FAAH (0.40) FAAHMAOAMAOBKCNH2MCHR1
SCHEMBL6963231 0.85 FAAH (0.40) FAAHMAOAMAOBKCNH2MCHR1
SCHEMBL6976244 0.84 FAAH (0.46) FAAHKCNH2MCHR1SPHK1CHRNB2
SCHEMBL6976242 0.84 FAAH (0.46) FAAHKCNH2MCHR1SPHK1CHRNB2
SCHEMBL6967496 0.82 HPGD (0.47) MAOAMAOBPOLB
SCHEMBL6969419 0.82 HPGD (0.47) MAOAMAOBPOLB

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 3 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
US-5889032-A Heterocyclic compounds having antidiabetic, hypolipidaemic, antihypertensive properties, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-03-30 US disclosed