SCHEMBL5402677

SCHEMBL5402677

CC(=O)C(CCC(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
CYP2D6 P10635 2/20 0.45
SRC P12931 1/20 0.45
POLB P06746 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
EPHX2 P34913 1/20 0.44
HRH1 P35367 3/20 0.44
HTR2A P28223 2/20 0.44
GRM2 Q14416 1/20 0.44
GRM3 Q14832 1/20 0.44
CASR P41180 1/20 0.44
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL5415283 0.89 MTNR1A (0.51) MTNR1AMTNR1BCNR1CNR2CYP2D6
SCHEMBL5412330 0.87 MTNR1A (0.50) MTNR1AMTNR1BCNR1CNR2CYP2D6
SCHEMBL7252518 0.85 RIPK1 (0.47) MTNR1AMTNR1BCYP2D6SRCPOLB
SCHEMBL7639003 0.84 KMT2A (0.53) MTNR1AMTNR1BCNR1CNR2POLB
SCHEMBL10409938 0.83 HTR2A (0.53) MTNR1AMTNR1BCNR1CNR2EPHX2
SCHEMBL7640821 0.83 TDP1 (0.51) MTNR1AMTNR1BPOLBCASR
SCHEMBL10409911 0.83 HTR2A (0.49) MTNR1AMTNR1BCNR1CNR2CYP2D6
SCHEMBL7638548 0.81 MTNR1A (0.45) MTNR1AMTNR1BCNR1CNR2CYP2D6
SCHEMBL5396760 0.81 MTNR1A (0.47) MTNR1AMTNR1BCNR1CNR2CYP2D6
SCHEMBL7640155 0.80 ALDH1A1 (0.53) MTNR1AMTNR1BCNR1LMNAMAPK1

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-7247645-B2 Dihydropyridine derivatives AJINOMOTO CO., INC. (JP) 2007-07-24 US disclosed