SCHEMBL8523688

SCHEMBL8523688

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.57
CHRNB4 P30926 5/20 0.49
CHRNA3 P32297 5/20 0.49
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 1/20 0.42
CHRNB1 P11230 1/20 0.41
CHRNB3 Q05901 1/20 0.41
KCNH2 Q12809 2/20 0.38
MCHR1 Q99705 2/20 0.38
SPHK2 Q9NRA0 2/20 0.37
SPHK1 Q9NYA1 2/20 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
SCHEMBL6976242 0.92 FAAH (0.46) FAAHCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL6976244 0.92 FAAH (0.46) FAAHCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL6961833 0.88 FAAH (0.41) FAAHCHRNB4CHRNA3CHRNB2CHRNB1
SCHEMBL6963235 0.84 FAAH (0.40) FAAHCHRNB2CHRNA4KCNH2MCHR1
SCHEMBL6963231 0.84 FAAH (0.40) FAAHCHRNB2CHRNA4KCNH2MCHR1
SCHEMBL8522230 0.84 KCNH2 (0.39) FAAHCHRNB2CHRNA4KCNH2MCHR1
SCHEMBL6958917 0.82 CNR1 (0.43)
SCHEMBL6958913 0.82 CNR1 (0.43)
SCHEMBL6968798 0.81 SPHK1 (0.45) MCHR1SPHK2SPHK1
SCHEMBL6968802 0.81 SPHK1 (0.45) MCHR1SPHK2SPHK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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