SCHEMBL7206887

SCHEMBL7206887

NCCCOc1cccc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 12/20 1.00
KCNA3 P22001 1/20 0.66
SLC6A4 P31645 2/20 0.62
HRH1 P35367 1/20 0.62
HTR1D P28221 2/20 0.59
NR2E1 Q9Y466 2/20 0.57
TDP1 Q9NUW8 1/20 0.55

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
Hydrochloric Acid SCHEMBL27274284 0.98 HTR1B (0.96) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL10527536 0.94 HTR1B (0.89) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL10525194 0.93 HTR1B (0.86) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL6846750 0.93 HTR1B (0.86) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL10525289 0.93 HTR1B (0.86) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL9523932 0.90 HTR1B (1.00) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL30825865 0.90 HTR1B (1.00) HTR1BKCNA3SLC6A4HRH1HTR1D
Oxalic Acid SCHEMBL27269366 0.90 HTR1B (0.81) HTR1BKCNA3SLC6A4HRH1NR2E1
SCHEMBL9770352 0.88 KCNA3 (0.81) HTR1BKCNA3SLC6A4HRH1HTR1D
SCHEMBL2177350 0.88 HTR1B (0.78) HTR1BKCNA3SLC6A4HRH1HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922050-B1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2003-07-30 EP disclosed
CN-1224426-A 3-descladinose-2, 3-anhydroerythromycin derivatives ABBOTT LAB (US) 1999-07-28 CN disclosed
EP-0922050-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1999-06-16 EP disclosed
US-5750510-A ANTIBIOTICS ABBOTT LABORATORIES (US) 1998-05-12 US disclosed
WO-1997042205-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1997-11-13 WO disclosed
CN-1020093-C 1-phenyl -3-naphthalenyloxypropanamines LILLY CO ELI (US) 1993-03-17 CN disclosed
CN-88102018-A 1-Phenyl-3-naphthyloxypropylamine 1988-10-26 CN disclosed
US-4536503-A Naphthoxyalkylamines and related compounds as antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1985-08-20 US disclosed
EP-0082005-A2 Naphthoxyalkylamines and related compounds, their preparation and antiinflammatory compositions containing them SYNTEX (U.S.A.) INC. (US) 1983-06-22 EP disclosed