SCHEMBL2013140

SCHEMBL2013140

C[C@]1(Cc2ccccc2)CN(Cc2ccn(-c3cccnc3N3CCC(Oc4ccc(F)cc4)CC3)n2)CCN1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 5/20 0.61
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
SLC5A7 Q9GZV3 1/20 0.35
HRH1 P35367 1/20 0.34
CCR3 P51677 1/20 0.34
KCNH2 Q12809 1/20 0.34
ADRB2 P07550 1/20 0.34
PRKAA2 P54646 2/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR1A P08908 1/20 0.34
HTR2C P28335 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL2010303 0.93 MLNR (0.63) MLNRHRH1CCR3KCNH2
SCHEMBL3138321 0.81 MLNR (0.72) MLNRKMT2AMEN1ALDH1A1LMNA
SCHEMBL2013138 0.81 MLNR (0.65) MLNRKMT2AALDH1A1
SCHEMBL2007976 0.77 MLNR (1.00) MLNRKMT2AALDH1A1
SCHEMBL2007837 0.76 MLNR (0.73) MLNRKMT2AMEN1ALDH1A1HRH1
SCHEMBL3128327 0.75 MLNR (0.85) MLNR
SCHEMBL2010301 0.74 MLNR (0.66) MLNR
SCHEMBL3134434 0.74 MLNR (0.73) MLNRHRH1CCR3KCNH2
SCHEMBL2009415 0.69 MLNR (1.00) MLNRHRH1CCR3KCNH2
SCHEMBL4690685 0.69 MLNR (1.00) MLNRHRH1CCR3KCNH2

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-7964602-B2 Biaryl compounds useful as agonists of the Gpr38 receptor GLAXO GROUP LIMITED (GB) 2011-06-21 US disclosed