SCHEMBL8872191

SCHEMBL8872191

OCCOCC(=Cc1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
CYP19A1 P11511 4/20 0.41
PRMT1 Q99873 1/20 0.39
AKR1C1 Q04828 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36

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
SCHEMBL8873211 1.00 MTNR1A (0.44) MTNR1AMTNR1BCYP19A1PRMT1AKR1C1
SCHEMBL8872181 1.00 MTNR1A (0.44) MTNR1AMTNR1BCYP19A1PRMT1AKR1C1
SCHEMBL9848407 0.78 MTNR1A (0.49) MTNR1AMTNR1BCYP19A1PRMT1AKR1C1
SCHEMBL6673216 0.78 CYP19A1 (0.43) MTNR1AMTNR1BCYP19A1AKR1C1MEN1
SCHEMBL1486709 0.77 MTNR1A (0.51) MTNR1AMTNR1BCYP19A1AKR1C1MEN1
SCHEMBL294670 0.77 MTNR1A (0.47) MTNR1AMTNR1BCYP19A1PRMT1AKR1C1
SCHEMBL7462863 0.76 MTNR1A (0.50) MTNR1AMTNR1BCYP19A1PRMT1AKR1C1
SCHEMBL7462866 0.76 MTNR1A (0.50) MTNR1AMTNR1BCYP19A1PRMT1AKR1C1
SCHEMBL3577068 0.75 HDAC3 (0.53) MTNR1AMTNR1BCYP19A1PRMT1AKR1C1
SCHEMBL3577074 0.75 HDAC3 (0.53) MTNR1AMTNR1BCYP19A1PRMT1AKR1C1

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
US-5604242-A ALKOXY- AND CARBOXY-SUBSTITUTED PIPERIDINES FOR SUPPRESSING UPTAKE OF GAMMA-AMINOBUTYRIC ACID, ANALGESICS, ANXIOLYTIC OR ANTIEPILEPTIC AGENTS NOVO NORDISK A/S (DK) 1997-02-18 US disclosed
EP-0705248-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF NOVO NORDISK A/S (DK) 1996-04-10 EP disclosed
WO-1995000486-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF NOVO NORDISK A/S (DK) 1995-01-05 WO disclosed