SCHEMBL8799332

SCHEMBL8799332

CC(C)C(=O)Nc1ccc(OC2CCNCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.49
HRH1 P35367 2/20 0.47
KDM1A O60341 1/20 0.46
RCOR1 Q9UKL0 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MTNR1B P49286 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL943416 0.84 KCNH2 (0.52) KCNH2HRH1KDM1ARCOR1MEN1
SCHEMBL16252558 0.82 NAMPT (0.52) KDM1ARCOR1MEN1KMT2AALDH1A1
SCHEMBL11954000 0.82 GPR119 (0.48) KDM1ARCOR1MEN1KMT2AALDH1A1
SCHEMBL8799456 0.81 HRH3 (0.49) KCNH2HRH1MTNR1BHRH3
Hydrochloric Acid SCHEMBL9013839 0.80 HRH3 (0.49) KCNH2KDM1ARCOR1HRH3
SCHEMBL4764984 0.78 NAMPT (0.56)
SCHEMBL12070796 0.78 HRH1 (0.54) KCNH2HRH1KDM1ARCOR1HRH3
SCHEMBL6156469 0.78 EPHX1 (0.54) KCNH2HRH1
SCHEMBL8800051 0.76 ALDH1A1 (0.54) KCNH2MTNR1BALDH1A1HRH3
SCHEMBL15030362 0.76 HRH1 (0.59) KCNH2HRH1KDM1ARCOR1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0635505-B1 4-Aryloxy- and 4-arylthiopiperidine derivatives MERCK PATENT GMBH (DE) 1997-10-15 EP disclosed
US-5561145-A 4-aryloxy- and 4-arylthiopiperidine derivatives MERCK PATENT GESELLSCHAFT MIT BESHRANKTER HAFTUNG (DE) 1996-10-01 US disclosed
EP-0635505-A1 4-Aryloxy- and 4-arylthiopiperidine derivatives MERCK PATENT GmbH (DE) 1995-01-25 EP disclosed