SCHEMBL8765749

SCHEMBL8765749

COc1ccc2c(c1)CC(NC(C)=O)CCC2

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.85
MTNR1B P49286 4/20 0.85
CA1 P00915 7/20 0.64
CA2 P00918 7/20 0.64
ACHE P22303 4/20 0.64
DRD2 P14416 4/20 0.51
DRD3 P35462 3/20 0.51
CA12 O43570 2/20 0.48
CA7 P43166 2/20 0.48
CA14 Q9ULX7 2/20 0.48
DRD4 P21917 2/20 0.48
CA9 Q16790 1/20 0.47

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
SCHEMBL8765743 1.00 MTNR1A (0.85) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3854031 0.92 MTNR1A (1.00) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3975748 0.86 MTNR1A (0.90) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL8766426 0.80 MTNR1A (0.56) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL8766632 0.80 MTNR1A (0.56) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL8765257 0.80 MTNR1A (0.56) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL8766448 0.80 MTNR1A (0.73) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL8766720 0.77 MTNR1B (0.55) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL8766729 0.77 MTNR1B (0.55) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL14277944 0.77 TAS1R3 (0.64) MTNR1AMTNR1BCA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0583485-B1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-13 EP disclosed
US-5387710-A Ethanolamine derivatives having sympathomimetic and anti-pollakiuria activities FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-07 US disclosed
EP-0583485-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES. FUJISAWA PHARMACEUTICAL CO (JP) 1994-02-23 EP disclosed
WO-1993015041-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-05 WO disclosed