SCHEMBL2013103

SCHEMBL2013103

CC(C)(C)OC(=O)NC1CCN(C(=O)C2CCC(c3ccccc3)N(S(=O)(=O)c3ccccc3)C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.46
SFRP1 Q8N474 5/20 0.44
KDM1A O60341 1/20 0.44
MAOB P27338 1/20 0.44
KCNA3 P22001 1/20 0.44
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
NAMPT P43490 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
APP P05067 1/20 0.40
USP30 Q70CQ3 1/20 0.39
RORC P51449 1/20 0.39
WNT3 P56703 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
SCHEMBL12632371 0.87 ALDH1A1 (0.46) ALDH1A1RAB9AKMT2ALMNASMN1; SMN2
SCHEMBL12631691 0.87 ALDH1A1 (0.47) ALDH1A1RAB9AKMT2ALMNASMN1; SMN2
SCHEMBL2013818 0.87 ALDH1A1 (0.47) ALDH1A1RAB9AKMT2ALMNASMN1; SMN2
SCHEMBL12631617 0.86 ALDH1A1 (0.49) ALDH1A1RAB9AKMT2ALMNASMN1; SMN2
SCHEMBL12631614 0.86 ALDH1A1 (0.46) SFRP1ALDH1A1RAB9AKMT2ALMNA
SCHEMBL12631378 0.84 ALDH1A1 (0.44) ALDH1A1RAB9AKMT2ALMNASMN1; SMN2
SCHEMBL12632373 0.84 APP (0.46) ALDH1A1RAB9AKMT2ALMNASMN1; SMN2
SCHEMBL2012363 0.84 USP30 (0.52) SFRP1ALDH1A1RAB9AKMT2AUSP30
SCHEMBL12628525 0.84 USP30 (0.52) SFRP1ALDH1A1RAB9AKMT2AUSP30
SCHEMBL12631385 0.83 APP (0.44) KCNA3ALDH1A1RAB9AKMT2ALMNA

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-2011073277-A1 PIPERIDINE ARYL SULFONAMIDE DERIVATIVES AS Kv1.3 MODULATORS EVOTEC AG (DE) 2011-06-23 WO claimed