SCHEMBL644191

SCHEMBL644191

[CH]1CCC(C(CCc2ccccc2)N2CCOCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
FKBP1A P62942 1/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ABCB1 P08183 2/20 0.39
TSHR P16473 3/20 0.39
CTSS P25774 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
CYP2C19 P33261 1/20 0.36

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
SCHEMBL646013 0.86 SIGMAR1 (0.41) SIGMAR1ALDH1A1MEN1KMT2ATSHR
SCHEMBL493031 0.85 POLB (0.41) POLBSIGMAR1FKBP1ALMNAALDH1A1
SCHEMBL643835 0.85 FKBP1A (0.42) POLBSIGMAR1FKBP1ALMNAALDH1A1
SCHEMBL644459 0.83 POLB (0.40) POLBSIGMAR1FKBP1ALMNAALDH1A1
SCHEMBL644715 0.82 ALDH1A1 (0.41) POLBSIGMAR1FKBP1ALMNAALDH1A1
SCHEMBL645657 0.82 HTT (0.40) POLBSIGMAR1FKBP1ALMNAALDH1A1
SCHEMBL644387 0.81 ALDH1A1 (0.39) POLBSIGMAR1FKBP1ALMNAALDH1A1
SCHEMBL2491899 0.79 ALDH1A1 (0.37) POLBSIGMAR1FKBP1ALMNAALDH1A1
SCHEMBL644037 0.79 ALDH1A1 (0.37) POLBSIGMAR1FKBP1ALMNAALDH1A1
SCHEMBL644038 0.79 ALDH1A1 (0.37) POLBSIGMAR1FKBP1ALMNAALDH1A1

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