SCHEMBL9549902

SCHEMBL9549902

CNCCC1CC(=O)N(C)c2ccc(OC)cc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
MTNR1A P48039 9/20 0.43
MTNR1B P49286 9/20 0.43
NQO2 P16083 9/20 0.42
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR6 P50406 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
USP2 O75604 1/20 0.37

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
SCHEMBL9549963 0.85 MTNR1A (0.44) LMNAMTNR1AMTNR1BNQO2
SCHEMBL9549917 0.85 LMNA (0.48) LMNAMTNR1AMTNR1BNQO2MEN1
SCHEMBL9549943 0.82 MTNR1A (0.42) LMNAMTNR1AMTNR1BNQO2MEN1
SCHEMBL9550084 0.80 LMNA (0.48) LMNANQO2MEN1TSHRKMT2A
SCHEMBL9549959 0.79 LMNA (0.47) LMNAMTNR1ANQO2HTR6ALDH1A1
SCHEMBL6073564 0.76 LMNA (0.55) LMNAMEN1TSHRKMT2AALDH1A1
SCHEMBL14493795 0.68 MTNR1A (0.62) MTNR1AMTNR1BNQO2
SCHEMBL29249783 0.68 MEN1 (0.54) LMNAMEN1TSHRKMT2AALDH1A1
SCHEMBL31092698 0.68 MEN1 (0.54) LMNAMEN1TSHRKMT2AALDH1A1
SCHEMBL31092759 0.68 ALDH1A1 (0.53) LMNAMEN1TSHRKMT2AALDH1A1

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