SCHEMBL14116235

SCHEMBL14116235

O=C(CO)NC1CCN(Cc2ccc(O)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 14/20 0.74
▸ LTA4H P09960 3/20 0.58
▸ ACHE P22303 1/20 0.56
▸ BACE1 P56817 1/20 0.56
▸ KCNH2 Q12809 1/20 0.54

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
SCHEMBL12642482 0.87 SIGMAR1 (0.72) SIGMAR1ACHEBACE1
SCHEMBL3075354 0.87 SIGMAR1 (0.81) SIGMAR1
SCHEMBL14116237 0.85 SIGMAR1 (0.69) SIGMAR1ACHEBACE1
SCHEMBL14115981 0.84 SIGMAR1 (0.67) SIGMAR1LTA4HACHEBACE1KCNH2
SCHEMBL12642613 0.84 SIGMAR1 (0.67) SIGMAR1LTA4H
SCHEMBL14101123 0.83 SIGMAR1 (0.70) SIGMAR1ACHEBACE1
SCHEMBL14116099 0.82 SIGMAR1 (0.65) SIGMAR1LTA4HKCNH2
SCHEMBL14100464 0.82 SIGMAR1 (0.64) SIGMAR1ACHEBACE1
SCHEMBL4034602 0.81 SIGMAR1 (0.83) SIGMAR1
SCHEMBL14100583 0.81 SIGMAR1 (0.63) SIGMAR1ACHEBACE1

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-2008100564-A1 LTA4H MODULATORS AND USES THEROF JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 — — WO disclosed
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