SCHEMBL8011663

SCHEMBL8011663

O=C1c2ccccc2C(=O)N1CCNOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.51
CASP3 P42574 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.47
MAOB P27338 2/20 0.47
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GLS O94925 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
SCHEMBL8008629 0.77 POLB (0.64) TDP1L3MBTL1POLBMAPTSMN1; SMN2
SCHEMBL28441280 0.76 ACHE (0.77) ACHEPOLB
SCHEMBL816698 0.76 MAPK1 (0.57) CASP3TDP1L3MBTL1MAPK1MAOB
SCHEMBL18730546 0.74 TDP1 (0.61) ACHECASP3TDP1L3MBTL1POLB
SCHEMBL805142 0.74 OGA (0.70) ACHECASP3RAB9ASMN1; SMN2GLS
SCHEMBL6043712 0.73 MAPT (0.64) ACHECASP3TDP1L3MBTL1MAPK1
SCHEMBL7973833 0.72 OGA (0.68) ACHECASP3RAB9ASMN1; SMN2GLS
SCHEMBL29724090 0.72 CASP3 (0.86) CASP3TDP1L3MBTL1MAPK1MAOB
SCHEMBL1142116 0.72 CASP3 (0.86) CASP3TDP1L3MBTL1MAPK1MAOB
SCHEMBL16087635 0.71 RPS6KA2 (0.56) ACHECASP3MAPTRAB9ASMN1; SMN2

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
US-6056939-A Self-assembling heteropolymetallic chelates as imaging agents and radiopharmaceuticals BRACCO IMAGING S.P.A. (IT) 2000-05-02 US disclosed
EP-0048363-B1 IMIDAZOLE DERIVATIVES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION AND DRUGS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-07-31 EP disclosed
US-4511720-A HYPOTENSIVE AGENTS HOFFMANN-LA ROCHE INC. (US) 1985-04-16 US disclosed
US-4366160-A ANALGESICS HOFFMANN-LA ROCHE INC. (US) 1982-12-28 US disclosed
US-4355033-A TREATMENT OF HYPERTENSION HOFFMAN-LA ROCHE INC. (US) 1982-10-19 US disclosed
EP-0002010-B1 DERIVATIVES OF 2-IMINO-IMIDAZOLIDINE, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-07-14 EP disclosed
EP-0048363-A2 Imidazole derivatives, processes and intermediates for their preparation and drugs containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-03-31 EP disclosed
US-4244957-A HYPOTENSIVE AGENTS HOFFMAN-LA ROCHE INC. (US) 1981-01-13 US disclosed
EP-0002010-A1 Derivatives of 2-imino-imidazolidine, processes for their preparation, pharmaceutical compositions containing them and intermediates F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-05-30 EP disclosed