SCHEMBL9682895

SCHEMBL9682895

CC(Cc1ccc(OCCCCCCO)cc1)NCC(O)COc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 11/20 0.65
▸ ADRB1 P08588 10/20 0.65
▸ ADRB2 P07550 6/20 0.65
▸ MEN1 O00255 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ CYP2D6 P10635 1/20 0.55
▸ SLC2A1 P11166 4/20 0.55
▸ SIGMAR1 Q99720 1/20 0.51

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
SCHEMBL9682885 1.00 ADRB3 (0.65) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL9684040 0.83 ADRB3 (0.87) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL9685312 0.83 ADRB3 (0.87) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL9684048 0.83 ADRB3 (0.87) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL9787241 0.82 MEN1 (0.64) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL9787233 0.82 MEN1 (0.64) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL10873682 0.82 ADRB3 (0.68) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL10873694 0.82 ADRB3 (0.68) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL10873688 0.82 ADRB3 (0.68) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL9684291 0.82 ADRB3 (0.61) ADRB3ADRB1ADRB2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0140243-B1 PHENOXYPROPANOL AMINES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-11-09 — — EP claimed
EP-0140243-A2 Phenoxypropanol amines F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-05-08 — — EP claimed
US-5166218-A Antilipemic agents or antiglycemic agents HOFFMANN-LA ROCHE INC. (US) 1992-11-24 — — US disclosed
US-5064863-A Catabolic activity, obesity, diabetes HOFFMANN-LA ROCHE INC. (US) 1991-11-12 — — US disclosed
EP-0140243-B1 PHENOXYPROPANOL AMINES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-11-09 — — EP disclosed
EP-0140243-A2 Phenoxypropanol amines F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-05-08 — — EP disclosed
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