SCHEMBL10322975

SCHEMBL10322975

CC(C)(COc1ccc(CC(=O)N(Cc2ccc(F)cc2)C2CCN(CCC3OCCCO3)CC2)cc1)OC(=O)C(O)C(O)C(=O)OC(C)(C)COc1ccc(CC(=O)N(Cc2ccc(F)cc2)C2CCN(CCC3OCCCO3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 16/20 0.44
OPRM1 P35372 4/20 0.42
TMEM97 Q5BJF2 2/20 0.42
ABCB11 O95342 1/20 0.42
CYP1A2 P05177 1/20 0.42
ADRB2 P07550 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42
TBXA2R P21731 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
GPR183 P32249 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADRA1A P35348 1/20 0.42
APLNR P35414 1/20 0.42
DRD3 P35462 1/20 0.42
CX3CR1 P49238 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL340612 0.89 HTR2A (0.50) HTR2AOPRM1TMEM97
Cadaverine Tartrate SCHEMBL10322974 0.88 HTR2A (0.46) HTR2AOPRM1TMEM97
SCHEMBL10323303 0.87 OPRM1 (0.45) HTR2AOPRM1TMEM97
SCHEMBL341230 0.86 HTR2A (0.58) HTR2AOPRM1TMEM97
SCHEMBL340681 0.85 HTR2A (0.60) HTR2AOPRM1ABCB11CYP1A2ADRB2
SCHEMBL342191 0.84 HTR2A (0.55) HTR2AOPRM1TMEM97
Oxalic Acid SCHEMBL10322235 0.84 HTR2A (0.56) HTR2AOPRM1TMEM97
Cadaverine Tartrate SCHEMBL10322593 0.84 HTR2A (0.51) HTR2AOPRM1TMEM97
SCHEMBL341353 0.84 OPRM1 (0.53) HTR2AOPRM1TMEM97
Cadaverine Tartrate SCHEMBL10322794 0.83 OPRM1 (0.50) HTR2AOPRM1TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2983473-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS Mountain Llc (US) 2016-02-17 EP claimed
US-20140350064-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC 2014-11-27 US claimed
WO-2014144130-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC (US) 2014-09-18 WO claimed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US claimed
EP-2983473-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS Mountain Llc (US) 2016-02-17 EP disclosed
US-20140350064-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC 2014-11-27 US disclosed
WO-2014144130-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC (US) 2014-09-18 WO disclosed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US disclosed