SCHEMBL9799101

SCHEMBL9799101

Oc1ccc2[c]cccc2n1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.31

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
SCHEMBL426806 0.77 CYP1A2 (0.50)
SCHEMBL16049736 0.75
SCHEMBL20265129 0.75 BACE1 (0.48) ACHE
SCHEMBL20265138 0.75 MAOA (0.35)
SCHEMBL6448214 0.72 MAPT (0.42) ACHE
SCHEMBL20265052 0.72 ALDH1A1 (0.35)
SCHEMBL20264856 0.72 GRM2 (0.42)
SCHEMBL20265014 0.71 KDM4E (0.39)
SCHEMBL20264922 0.71 NQO1 (0.38)
SCHEMBL4358400 0.68 METAP2 (0.31)

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
CN-103814020-A Therapeutically active compositions and their methods of use AGIOS PHARMACEUTICALS INC 2014-05-21 CN disclosed
EP-0229947-B1 NOVEL CRYSTALLINE SALTS OF ARYLOXY-PROPANOLAMINES, THEIR PREPARATION AND THEIR USE RORER INTERNATIONAL (OVERSEAS) INC. (US) 1991-03-13 EP disclosed
US-4849530-A Process for the preparation of crystalline salts or aryloxy-propanolamines RORER PHARMACEUTICAL CORPORATION (US) 1989-07-18 US disclosed
US-4767784-A DIPHENYLACETATES RORER PHARMACEUTICAL CORPORATION 1988-08-30 US disclosed
EP-0229947-A1 Novel crystalline salts of aryloxy-propanolamines, their preparation and their use RORER INTERNATIONAL (OVERSEAS) INC. (US) 1987-07-29 EP disclosed
EP-0035228-B1 TETRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND ANTI-ULCER COMPOSITION CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-01-02 EP disclosed
US-4372953-A Tetrazole derivatives, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1983-02-08 US disclosed
EP-0035228-A1 Tetrazole derivatives, process for the preparation thereof, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-09-09 EP disclosed