SCHEMBL7079680

SCHEMBL7079680

COC(=O)Oc1ccc2cccc(O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.48
MTNR1B P49286 8/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.45
NQO2 P16083 1/20 0.44
GRIN2D O15399 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41

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
SCHEMBL7076788 0.88 HSD17B1 (0.49) MTNR1AMTNR1BGRIN2DGRIN2AGRIN2B
SCHEMBL27504643 0.84 CYP3A4 (0.54) MTNR1AMTNR1BHTR2CHTR2BCTDSP1
SCHEMBL9502674 0.82 CTDSP1 (0.49) MTNR1AMTNR1BCTDSP1NQO2GRIN2D
SCHEMBL16187157 0.81 CTDSP1 (0.45) MTNR1AMTNR1BHTR2CHTR2BCTDSP1
SCHEMBL169434 0.80 MTNR1A (0.55) MTNR1AMTNR1BHTR2CHTR2BCTDSP1
SCHEMBL14514195 0.80 KMT2A (0.58)
SCHEMBL8893625 0.80 PLAU (0.60) MTNR1AMTNR1BNQO2
SCHEMBL2944091 0.79 KDM4E (0.47)
SCHEMBL9610674 0.79 ELANE (0.47) MTNR1AMTNR1BHTR2CHTR2BCTDSP1
SCHEMBL6509388 0.78 KMT2A (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO disclosed