SCHEMBL5410941

SCHEMBL5410941

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
CNR1 P21554 8/20 0.45
CNR2 P34972 6/20 0.45
EPHX2 P34913 4/20 0.45
CASR P41180 4/20 0.41
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL5403135 0.75 MTNR1A (0.46) MTNR1AMTNR1BCNR1CNR2EPHX2
SCHEMBL3290730 0.71 HRH1 (0.68) MTNR1AMTNR1BCASRHTR2AHRH1
SCHEMBL3674189 0.70 CYP2D6 (0.54) MTNR1AMTNR1BCNR1CNR2EPHX2
SCHEMBL7114570 0.69 PTGS2 (0.47) MTNR1AMTNR1B
SCHEMBL5402685 0.69 TBXAS1 (0.49) MTNR1AMTNR1BCNR1CNR2EPHX2
SCHEMBL5410936 0.69 CNR1 (0.50) MTNR1AMTNR1BCNR1CNR2EPHX2
SCHEMBL10777977 0.69 HDAC1 (0.41) HTR2AHRH1
SCHEMBL2732016 0.68 HRH1 (0.65) MTNR1AMTNR1BCASRHTR2AHRH1
SCHEMBL844862 0.68 HRH1 (0.65) MTNR1AMTNR1BCASRHTR2AHRH1
SCHEMBL27321444 0.68 HRH1 (0.65) MTNR1AMTNR1BCASRHTR2AHRH1

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