SCHEMBL644789

SCHEMBL644789

CN1CCN(CC2CCN(c3cccc(F)c3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.56
HTR1A P08908 4/20 0.47
KCNH2 Q12809 1/20 0.47
ADRA2C P18825 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTR7 P34969 3/20 0.43
DRD2 P14416 2/20 0.43
HTR2A P28223 2/20 0.43
HTR6 P50406 2/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
FAAH O00519 1/20 0.42
ABL1 P00519 1/20 0.42
BTK Q06187 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL645747 0.83 NPC1 (0.50) HTR1AKCNH2DRD2HTR2AABL1
SCHEMBL645892 0.83 DRD2 (0.52) HTR1AKCNH2HTR7DRD2
SCHEMBL7927182 0.81 ADRA2C (0.65) BPTFADRA2CHTR6POLBKMT2A
SCHEMBL24008617 0.80 BPTF (0.58) BPTFHTR1AKCNH2NPSR1HTR7
SCHEMBL30323093 0.80 BPTF (0.58) BPTFHTR1AKCNH2NPSR1HTR7
SCHEMBL12424927 0.80 BPTF (0.64) BPTFHTR1AHTR7DRD2HTR2A
SCHEMBL3665721 0.80 KCNH2 (0.61) HTR1AKCNH2ADRA2CHTR7DRD2
SCHEMBL24572269 0.79 DRD2 (0.51) HTR1AKCNH2HTR7DRD2HTR2A
SCHEMBL28706080 0.77 BPTF (0.64) BPTFHTR1AHTR7DRD2HTR2A
SCHEMBL24834707 0.76 MAPT (0.47) KCNH2ADRA2CNPSR1DRD2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119633-B2 N-{2-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-2-oxo-ethoxy]-ethyl}-N-ethyl-4-methoxy-2,3,6-trimethyl-phenylsulfonamide; condensing the N-carboxyalkyl phenylsulfonamide with the substituted piperidine; bradykinin receptor antagonists; analgesics; antidiabetics; angiogenesis inhibitors; rheumatic diseases GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed