SCHEMBL8799456

SCHEMBL8799456

CCC(=O)Nc1ccc(OC2CCNCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.49
KCNH2 Q12809 1/20 0.49
HRH1 P35367 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 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
SCHEMBL8800051 0.87 ALDH1A1 (0.54) HRH3KCNH2L3MBTL1MTNR1AMTNR1B
SCHEMBL13652530 0.86 HRH3 (0.56) HRH3
SCHEMBL943416 0.84 KCNH2 (0.52) KCNH2HRH1SMN1; SMN2
Hydrochloric Acid SCHEMBL9013839 0.82 HRH3 (0.49) HRH3KCNH2
SCHEMBL18596083 0.82 HRH3 (0.57) HRH3SMN1; SMN2
SCHEMBL8799332 0.81 KCNH2 (0.49) HRH3KCNH2HRH1MTNR1B
SCHEMBL5662169 0.78 NAMPT (0.56) SMN1; SMN2
Fumaric Acid SCHEMBL9013889 0.78 RAB9A (0.50) HRH3KCNH2HRH1HPGD
SCHEMBL17534841 0.78 HRH3 (0.72) HRH3SMN1; SMN2HPGD
SCHEMBL14684839 0.78 HRH1 (0.54) HRH3KCNH2HRH1

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