SCHEMBL9549963

SCHEMBL9549963

COc1ccc2c(c1)C(CCNCC1CC1)CC(=O)N2C

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.44
MTNR1B P49286 14/20 0.44
NQO2 P16083 13/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL9549902 0.85 LMNA (0.46) MTNR1AMTNR1BNQO2LMNA
SCHEMBL9549917 0.83 LMNA (0.48) MTNR1AMTNR1BNQO2LMNA
SCHEMBL9549959 0.79 LMNA (0.47) MTNR1ANQO2LMNA
SCHEMBL9550084 0.78 LMNA (0.48) NQO2LMNA
SCHEMBL9549943 0.77 MTNR1A (0.42) MTNR1AMTNR1BNQO2LMNA
SCHEMBL6073564 0.72 LMNA (0.55) LMNA
SCHEMBL7796319 0.66 MTNR1A (0.52) MTNR1AMTNR1BNQO2
SCHEMBL10188178 0.65 MTNR1A (0.43) MTNR1AMTNR1BNQO2
SCHEMBL14493795 0.65 MTNR1A (0.62) MTNR1AMTNR1BNQO2
SCHEMBL29249783 0.64 MEN1 (0.54) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5264575-A Reacting 1,3-benzodiazocine-8-ol derivative with lutidine/2,6-/, triisoproylsilyltrifluoro methane, formed intermediate reacted with lithium chloride, tetrabutylammonium fluoride and isocyanate HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-11-23 US disclosed
US-5097033-A Aminoethyl quinoline 2-ones, intermediates for analgesic, and cholinergic agents for memory disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-03-17 US disclosed
US-5010083-A Cognition activator; Alzheimer*s disease HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1991-04-23 US disclosed
EP-0335292-A2 2,6-Methano-1,3-benzodiazocines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-10-04 EP disclosed