SCHEMBL8765257

SCHEMBL8765257

COc1ccc2c(c1)C[C@@H](NC(=O)[C@@H](N)CC(C)C)CCC2

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.56
MTNR1B P49286 2/20 0.56
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
ACHE P22303 3/20 0.53
CTSD P07339 2/20 0.47
DRD2 P14416 4/20 0.45
DRD3 P35462 3/20 0.45
DRD4 P21917 2/20 0.43
HDAC8 Q9BY41 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41
NPY5R Q15761 1/20 0.40
CASP1 P29466 1/20 0.40
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
CASP6 P55212 1/20 0.40
CASP8 Q14790 1/20 0.40
NQO2 P16083 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
SCHEMBL8766632 1.00 MTNR1A (0.56) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL8766426 1.00 MTNR1A (0.56) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL8765749 0.80 MTNR1A (0.85) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL8765743 0.80 MTNR1A (0.85) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL8765938 0.78 CTSK (0.57)
SCHEMBL8765915 0.78 CTSK (0.57)
SCHEMBL7352131 0.74 CA1 (0.70) MTNR1AMTNR1BCA1CA2ACHE
Hydrochloric Acid SCHEMBL9351999 0.72 MTNR1A (0.44) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3854031 0.72 MTNR1A (1.00) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL7375829 0.71 EPHX1 (0.49) CTSDSMYD3CASP6

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