SCHEMBL11568450

SCHEMBL11568450

S=C=NC1CCN(Cc2ccccc2)C(I)C1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 4/20 0.41
▸ ACHE P22303 2/20 0.38
▸ BACE1 P56817 2/20 0.38
▸ GBA1 P04062 1/20 0.38
▸ SIGMAR1 Q99720 8/20 0.38
▸ BCHE P06276 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
SCHEMBL4987941 0.77 ACHE (0.57) NAAAACHEBACE1SIGMAR1BCHE
SCHEMBL4935312 0.74 BCHE (0.59) NAAAACHEBACE1BCHE
SCHEMBL27525298 0.69 NAAA (0.58) NAAAACHESIGMAR1
SCHEMBL2885978 0.69 SIGMAR1 (0.54) ACHEGBA1SIGMAR1
SCHEMBL8301747 0.66 HTR1A (0.51) ACHEGBA1SIGMAR1
SCHEMBL3176956 0.66 HTR1A (0.51) ACHEGBA1SIGMAR1
SCHEMBL10921182 0.64 GBA1 (0.45) ACHEGBA1SIGMAR1
SCHEMBL9595473 0.64 SIGMAR1 (0.50) ACHEGBA1SIGMAR1
SCHEMBL31175320 0.64 SIGMAR1 (0.45) NAAAGBA1SIGMAR1
SCHEMBL7575349 0.63 GBA1 (0.47) ACHEGBA1SIGMAR1

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
EP-0005318-A1 N-Heterocyclyl-4-piperidinamines, methods for their preparation, pharmaceutical compositions comprising them, intermediates therefor, and method for the preparation of the intermediates JANSSEN PHARMACEUTICA N.V. (BE) 1979-11-14 — — EP disclosed
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