SCHEMBL9520939

SCHEMBL9520939

O=C(O)C1CCCc2c1ccc1c2OCCO1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ADRA2A P08913 4/20 0.37
ADRA2B P18089 4/20 0.37
ADRA2C P18825 4/20 0.37
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 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
SCHEMBL9325484 0.88 ADRA2A (0.47) ADRA2AADRA2BADRA2CFABP4ALDH1A1
SCHEMBL9465456 0.81 KDM4E (0.43) KDM4EFABP3FABP4ALDH1A1HPGD
SCHEMBL12270119 0.77 ADRA2A (0.37) ADRA2AADRA2BADRA2CALDH1A1HTT
SCHEMBL7880454 0.74 ADRA2A (0.41) KDM4EADRA2AADRA2BADRA2CALDH1A1
SCHEMBL20478305 0.74 NPY5R (0.43) HTTHCRTR1
SCHEMBL9464891 0.73 FABP4 (0.41) KDM4EFABP3FABP4ALDH1A1HSD17B10
SCHEMBL1759542 0.72 TAS1R3 (0.47) ADRA2A
SCHEMBL14080996 0.72 SIRT1 (0.45) ADRA2AADRA2BADRA2CSIRT1
SCHEMBL8370402 0.71 FABP4 (0.41) FABP3FABP4KDM4CSIRT1
SCHEMBL17891701 0.71 KDM4C (0.46) FABP3FABP4ALDH1A1KDM4CSIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0325963-B1 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES AND -INDANES ABBOTT LABORATORIES (US) 1993-09-22 EP disclosed
US-5140040-A Alpha-2-adrenergic receptor antagonist; glaucoma; congestive heart failure; hypotensive agents; headaches; metabolic disorders (diabetes, obesity) ABBOTT LABORATORIES (US) 1992-08-18 US disclosed
US-5128362-A Antidepressant, antiglaucoma ABBOTT LABORATORIES (US) 1992-07-07 US disclosed
US-5086074-A Selective adrenergic receptor antagonists ABBOTT LABORATORIES (US) 1992-02-04 US disclosed
EP-0395734-A4 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES 1991-01-02 EP disclosed
EP-0395734-A1 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES ABBOTT LABORATORIES (US) 1990-11-07 EP disclosed
EP-0325963-A1 1-Aminomethyl-1,2,3,4-tetrahydronaphthalenes and -indanes ABBOTT LABORATORIES (US) 1989-08-02 EP disclosed
WO-1989006645-A1 1-AMINOMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENES ABBOTT LABORATORIES (US) 1989-07-27 WO disclosed