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SCHEMBL7705522

SCHEMBL7705522

O=C(NCCO)c1cccc2c(Oc3ccc(C[C@@H](CO)N(Cc4ccccc4)C[C@H](O)COc4cccc5[nH]ccc45)cc3)ccnc12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 14/20 0.40
▸ ADRB1 P08588 6/20 0.39
▸ ADRB2 P07550 5/20 0.39
▸ HTR1A P08908 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL7688229 0.90 MEN1 (0.35) ADRB3ADRB1ALDH1A1LMNAHPGD
SCHEMBL7686590 0.85 LMNA (0.34) ADRB3ADRB1ALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL7691960 0.83 HTR1A (0.46) ADRB3ADRB1ADRB2HTR1AKDM4E
SCHEMBL7692118 0.83 AURKA (0.37) ADRB3ADRB1ALDH1A1LMNAHPGD
SCHEMBL7687331 0.81 AURKA (0.39) ADRB3ADRB1ALDH1A1LMNAHPGD
SCHEMBL7692452 0.81 ADRB1 (0.34) ADRB3ADRB1LMNA
SCHEMBL7692587 0.81 ADRB3 (0.38) ADRB3ADRB1ADRB2ALDH1A1HPGD
SCHEMBL7692585 0.81 ADRB3 (0.38) ADRB3ADRB1ADRB2ALDH1A1HPGD
SCHEMBL7692514 0.80 ADRB1 (0.39) ADRB3ADRB1ADRB2HTR1AKDM4E
SCHEMBL7693500 0.79 ALDH1A1 (0.35) ADRB3ADRB1KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 — — WO disclosed