SCHEMBL8765995

SCHEMBL8765995

COC(=O)NC1Cc2ccc(OC)cc2C1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.62
MTNR1B P49286 1/20 0.62
CA1 P00915 8/20 0.58
CA2 P00918 8/20 0.58
ACHE P22303 5/20 0.58
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
DRD2 P14416 3/20 0.48
DRD3 P35462 3/20 0.48
CA12 O43570 2/20 0.48
CA7 P43166 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CA9 Q16790 1/20 0.47
APOB P04114 1/20 0.45
MTTP P55157 1/20 0.45

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
SCHEMBL11896109 0.88 MTNR1A (0.62) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL17335544 0.84 CA1 (0.64) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL6198196 0.81 CA1 (0.47) CA1CA2MEN1KMT2ACA12
SCHEMBL4231484 0.81 CA1 (0.47) CA1CA2MEN1KMT2ACA12
SCHEMBL6199831 0.81 CA1 (0.47) CA1CA2MEN1KMT2ACA12
SCHEMBL6199303 0.81 APOB (0.45) MTNR1AMTNR1BCA1CA2MEN1
SCHEMBL6196616 0.81 APOB (0.45) MTNR1AMTNR1BCA1CA2MEN1
Hydrochloric Acid SCHEMBL6203124 0.80 CA1 (0.46) CA1CA2MEN1KMT2ACA12
Hydrochloric Acid SCHEMBL6203128 0.80 CA1 (0.46) CA1CA2MEN1KMT2ACA12
SCHEMBL6502466 0.80 MEN1 (0.55) MTNR1AMTNR1BMEN1KMT2AAPOB

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