SCHEMBL3667339

SCHEMBL3667339

C[CH]C1CCCN(C2CN(C)C2)C1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3375292 0.77
SCHEMBL26743104 0.74 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL29335368 0.72 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL12038515 0.71 ALDH1A1 (0.35) ALDH1A1
SCHEMBL18136222 0.71
SCHEMBL25467992 0.71 LMNA (0.41) ALDH1A1SMN1; SMN2
SCHEMBL24480309 0.71 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL13791869 0.69 FYN (0.35) ALDH1A1
SCHEMBL3437036 0.69 FYN (0.35) ALDH1A1
SCHEMBL24185415 0.68 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2

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-2240458-A1 ARYL SULFONAMIDES AS EFFECTIVE ANALGESICS Boehringer Ingelheim International GmbH (DE) 2010-10-20 EP disclosed
WO-2009098051-A1 ARYL SULFONAMIDES AS EFFECTIVE ANALGESICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-13 WO disclosed