SCHEMBL5803100

SCHEMBL5803100

[c]1ccc(OCCN2CCOc3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.45
SLC6A4 P31645 1/20 0.45
KMT2A Q03164 1/20 0.43
TSHR P16473 5/20 0.43
KCNH2 Q12809 1/20 0.41
GRM5 P41594 1/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
NOTUM Q6P988 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
SCHEMBL4821713 0.84 HTR1A (0.47) HTR1ASLC6A4KMT2ATSHRKCNH2
SCHEMBL5107391 0.81 KMT2A (0.43) HTR1ASLC6A4KMT2ATSHRKCNH2
SCHEMBL24398651 0.78 HTR1A (0.47) HTR1ASLC6A4KMT2ATSHRKCNH2
SCHEMBL11212676 0.77 TSHR (0.61) HTR1ASLC6A4KMT2ATSHRKCNH2
SCHEMBL5428241 0.77 HTR1A (0.42) HTR1ASLC6A4KMT2ATSHRKCNH2
SCHEMBL9092776 0.76 KMT2A (0.50) HTR1ASLC6A4KMT2ATSHRKCNH2
SCHEMBL27558296 0.75 MAOA (0.43) HTR1ASLC6A4KMT2ATSHRKCNH2
SCHEMBL5112766 0.75 PPARG (0.49) KMT2ATSHRMAPTLMNARXFP1
SCHEMBL4031991 0.75 CYSLTR2 (0.42) HTR1ASLC6A4KMT2ATSHRKCNH2
SCHEMBL5807544 0.74 MAPT (0.47) KMT2AMAPTLMNAPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006082495-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS RANBAXY LABORATORIES LIMITED (IN) 2006-08-10 WO claimed
WO-2006082495-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS RANBAXY LABORATORIES LIMITED (IN) 2006-08-10 WO disclosed