SCHEMBL9705544

SCHEMBL9705544

NCCNC(=O)Nc1ccc2[nH]ccc2c1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.69
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
MAPT P10636 3/20 0.53
MAOB P27338 6/20 0.51
MAOA P21397 6/20 0.51
PRKCI P41743 1/20 0.50
NOTUM Q6P988 1/20 0.47
ROCK2 O75116 1/20 0.45

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
SCHEMBL9258583 0.91 EPHX1 (0.76) EPHX1NPC1RAB9AMAPTMAOB
SCHEMBL6697763 0.86 EPHX1 (0.69) EPHX1NPC1RAB9AMAPTMAOB
SCHEMBL14288522 0.84 EPHX1 (0.90) EPHX1NPC1RAB9AMAPTMAOB
SCHEMBL22803696 0.83 NPC1 (0.67) EPHX1NPC1RAB9AMAPTMAOB
SCHEMBL22803830 0.83 EPHX1 (0.97) EPHX1NPC1RAB9AMAPTMAOB
SCHEMBL22803823 0.83 EPHX1 (0.68) EPHX1NPC1RAB9AMAPTMAOB
SCHEMBL9260337 0.83 EPHX1 (0.76) EPHX1NPC1RAB9AMAPTMAOB
SCHEMBL31668688 0.82 MAOA (0.66) EPHX1NPC1RAB9AMAPTMAOB
SCHEMBL22803831 0.82 EPHX1 (0.63) EPHX1NPC1RAB9AMAPTMAOB
SCHEMBL22803313 0.82 EPHX1 (1.00) EPHX1NPC1RAB9AMAPTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0221958-B1 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Louis, William John (AU) 1992-10-28 EP disclosed
US-4977153-A BETA ADRENOCEPTOR BLOCKING AGENTS Louis, William J. (AU) 1990-12-11 US disclosed
EP-0221958-A4 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. LOUIS WILLIAM JOHN (AU) 1987-11-25 EP disclosed
EP-0221958-A1 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. LOUIS WILLIAM JOHN (AU) 1987-05-20 EP disclosed
WO-1986006717-A1 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LOUIS WILLIAM JOHN (AU) 1986-11-20 WO disclosed