SCHEMBL325608

SCHEMBL325608

CC(C)C(Oc1ccc(Cl)cc1)N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.42
CHRNA7 P36544 1/20 0.40
POLB P06746 2/20 0.40
HSP90AA1 P07900 1/20 0.40
KMT2A Q03164 1/20 0.39
LTA4H P09960 1/20 0.37
PTGS2 P35354 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LIPE Q05469 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL6731066 0.81 SIGMAR1 (0.43) SIGMAR1CHRNA7POLBKMT2AL3MBTL1
SCHEMBL7501330 0.77 LTA4H (0.45) SIGMAR1CHRNA7KMT2ALTA4HPTGS2
SCHEMBL2215851 0.74 HRH3 (0.41) SIGMAR1POLBKMT2ALTA4HPTGS2
SCHEMBL7502501 0.73 LTA4H (0.50) SIGMAR1KMT2ALTA4HLMNAHRH3
SCHEMBL7500095 0.71 HPGD (0.50) CHRNA7KMT2ALMNAHTTSMN1; SMN2
SCHEMBL11083943 0.70 KMT2A (0.46) CHRNA7POLBKMT2ALIPELMNA
SCHEMBL1002275 0.70 HTR7 (0.42) SIGMAR1POLBKMT2ALTA4HPTGS2
SCHEMBL1002277 0.70 HTR7 (0.42) SIGMAR1POLBKMT2ALTA4HPTGS2
SCHEMBL992649 0.70 HRH3 (0.40) SIGMAR1HRH3
SCHEMBL997427 0.69 TP53 (0.39) SIGMAR1POLBKMT2ALTA4HPTGS2

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
WO-2011008666-A2 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE, INC. (US) 2011-01-20 WO disclosed