SCHEMBL9465456

SCHEMBL9465456

O=C(O)C1CCOc2c1ccc1c2OCCO1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
FABP4 P15090 2/20 0.40
FABP3 P05413 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.37
MTNR1A P48039 2/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL9464891 0.90 FABP4 (0.41) KDM4EFABP4FABP3ALDH1A1HSD17B10
SCHEMBL9520939 0.81 KDM4E (0.39) KDM4EFABP4FABP3ALDH1A1HPGD
SCHEMBL29948201 0.76 SSTR4 (0.41) ALDH1A1PTGDR2
SCHEMBL30207743 0.76 SSTR4 (0.41) ALDH1A1PTGDR2
SCHEMBL5847643 0.76 SSTR4 (0.41) ALDH1A1PTGDR2
SCHEMBL769058 0.76 SSTR4 (0.41) ALDH1A1PTGDR2
SCHEMBL5847641 0.76 SSTR4 (0.41) ALDH1A1PTGDR2
SCHEMBL11002902 0.75 MAOA (0.45) PTGDR2
SCHEMBL20480108 0.75 ADRA2A (0.47) FABP4FABP3PTGDR2
SCHEMBL2729875 0.75 ADRA2A (0.47) KDM4EALDH1A1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5185364-A Selectively inhibit alpha-2-adrenergic receptors ABBOTT LABORATORIES (US) 1993-02-09 US disclosed
US-5140039-A Antidepressants, metabolic disorders ABBOTT LABORATORIES (US) 1992-08-18 US disclosed
US-5089519-A Antidepressants; antagonists for alpha-2-adrenergic receptors ABBOTT LABORATORIES (US) 1992-02-18 US disclosed
EP-0396620-A4 AMINOMETHYL-CHROMAN AND -THIOCHROMAN COMPOUNDS 1991-01-23 EP disclosed
EP-0396620-A1 AMINOMETHYL-CHROMAN AND -THIOCHROMAN COMPOUNDS. ABBOTT LAB (US) 1990-11-14 EP disclosed
EP-0325964-A1 Aminomethyl-chroman and -thiochroman compounds ABBOTT LABORATORIES (US) 1989-08-02 EP disclosed
WO-1989006534-A1 AMINOMETHYL-CHROMAN AND -THIOCHROMAN COMPOUNDS ABBOTT LABORATORIES (US) 1989-07-27 WO disclosed