SCHEMBL16136704

SCHEMBL16136704

CC(=O)c1cccc(C2CCNCC2)c1C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.49
PARP1 P09874 1/20 0.40
HTR6 P50406 5/20 0.39
HTR1A P08908 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
NOTUM Q6P988 1/20 0.38
HTR1F P30939 1/20 0.38
PLAT P00750 1/20 0.38

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
SCHEMBL7670262 0.85 HTR2C (0.56) HTR2CHTR6HTR1ASLC6A2SLC6A4
SCHEMBL2781842 0.83 HTR2C (0.47) HTR2CPARP1HTR6HTR1ASLC6A2
SCHEMBL27605525 0.80 NOTUM (0.45) NOTUM
SCHEMBL17323546 0.78 HTR2C (0.51) HTR2CHTR6HTR1ASLC6A2SLC6A4
SCHEMBL25422738 0.76 PARP1 (0.47) HTR2CPARP1HTR1ASLC6A2SLC6A4
Acetamide SCHEMBL27654523 0.76 HTR2C (0.58) HTR2CPARP1HTR6HTR1ASLC6A2
SCHEMBL21145876 0.76 PARP1 (0.42) HTR2CPARP1SLC6A2SLC6A4SLC6A3
SCHEMBL13646083 0.75 HTR2C (0.61) HTR2CHTR6NOTUM
SCHEMBL28086725 0.75 HTR2C (0.59) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL3809376 0.74 HTR2C (0.59) HTR2CPARP1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029547-B1 Synthesis of 4-aryl 4-acyl piperidine, its salts and analogs using indium metal SAMI LABS LIMITED (IN) 2015-05-12 US disclosed
US-8853407-B1 Synthesis of 4-aryl 4-acyl piperidine, its salts and analogs using indium metal SAMI LABS LIMITED (IN) 2014-10-07 US disclosed