SCHEMBL7035289

SCHEMBL7035289

CC(C)(C)OC(=O)NC1CCc2ccc(OCC(=O)O)cc2C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
ADRB3 P13945 5/20 0.52
ADRB1 P08588 1/20 0.52
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ACHE P22303 4/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
DRD2 P14416 6/20 0.43
DRD3 P35462 3/20 0.43
HTR1D P28221 1/20 0.43
EPHX2 P34913 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
SCHEMBL5681677 1.00 MTNR1A (0.53) MTNR1AMTNR1BADRB3ADRB1ALOX15
SCHEMBL4853024 0.91 ALOX15 (0.49) MTNR1AMTNR1BADRB3ADRB1ALOX15
SCHEMBL5679130 0.90 MTNR1A (0.52) MTNR1AMTNR1BADRB3ADRB1ACHE
SCHEMBL5722257 0.88 MTNR1A (0.50) MTNR1AMTNR1BADRB3ADRB1ACHE
SCHEMBL5722255 0.88 MTNR1A (0.50) MTNR1AMTNR1BADRB3ADRB1ACHE
SCHEMBL9443665 0.87 ADRB3 (0.51) MTNR1AMTNR1BADRB3ADRB1ACHE
SCHEMBL9443701 0.87 ADRB3 (0.51) MTNR1AMTNR1BADRB3ADRB1ACHE
SCHEMBL9443694 0.87 ADRB3 (0.51) MTNR1AMTNR1BADRB3ADRB1ACHE
SCHEMBL5681735 0.86 ACHE (0.48) MTNR1AMTNR1BADRB3ADRB1ACHE
SCHEMBL5679215 0.85 HDAC8 (0.53) MTNR1AMTNR1BADRB3ADRB1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1292572-A1 PROPANOLAMINOTETRALINES, PREPARATION THEREOF AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2003-03-19 EP disclosed
WO-2001094307-A1 PROPANOLAMINOTETRALINES, PREPARATION THEREOF AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2001-12-13 WO disclosed