SCHEMBL4238989

SCHEMBL4238989

CCCCCCOc1ncccc1OCC1CCCNC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
ACP1 P24666 2/20 0.46
IKBKB O14920 3/20 0.43
CHUK O15111 1/20 0.43
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
CDC42BPB Q9Y5S2 1/20 0.41
IRAK4 Q9NWZ3 6/20 0.41
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
DGAT2 Q96PD7 2/20 0.39

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
SCHEMBL3324570 0.87 CHRNB4 (0.51) CHRNB4CHRNA3ACP1IKBKBCHUK
SCHEMBL3321341 0.87 CHRNB4 (0.51) CHRNB4CHRNA3ACP1IKBKBCHUK
SCHEMBL13333549 0.83 CHRNB4 (0.65) CHRNB4CHRNA3ACP1IKBKBCHUK
SCHEMBL3325177 0.83 IKBKB (0.47) CHRNB4CHRNA3ACP1IKBKBCHUK
SCHEMBL3325101 0.83 IKBKB (0.47) CHRNB4CHRNA3ACP1IKBKBCHUK
SCHEMBL3321366 0.82 IKBKB (0.48) CHRNB4CHRNA3ACP1IKBKBCHUK
SCHEMBL3321227 0.82 IKBKB (0.48) CHRNB4CHRNA3ACP1IKBKBCHUK
SCHEMBL3329967 0.82 CHRNB4 (0.48) CHRNB4CHRNA3IKBKBCHUKCHRNB2
SCHEMBL3325361 0.82 CHRNB4 (0.48) CHRNB4CHRNA3IKBKBCHUKCHRNB2
SCHEMBL3117931 0.81 IKBKB (0.47) CHRNB4CHRNA3IKBKBCHUKCHRNB2

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
EP-2066630-A1 PIPERIDINE DERIVATIVES Pfizer Products Incorporated (US) 2009-06-10 EP disclosed
WO-2008023258-A1 PIPERIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-28 WO disclosed