SCHEMBL6599674

SCHEMBL6599674

C[N+]1(C2CC(CO)N(c3ccc(N)cc3)C2)CCCC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RAD52 P43351 1/20 0.31
GFER P55789 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
Hydrochloric Acid SCHEMBL6094691 0.97 GBA1 (0.30) GBA1KDM4EGAAMAPTRAD52
SCHEMBL6624024 0.86
Hydrochloric Acid SCHEMBL6111145 0.85
Hydrochloric Acid SCHEMBL6097357 0.82 GAA (0.36) GAARAD52
SCHEMBL6600969 0.78 L3MBTL3 (0.33) GFER
Hydrochloric Acid SCHEMBL6096097 0.76 L3MBTL3 (0.32) GFER
SCHEMBL5850115 0.74 GBA1 (0.37) GBA1KDM4EGAAMAPTRAD52
Hydrochloric Acid SCHEMBL6096093 0.71 KDM4E (0.33) GBA1KDM4EGAAMAPTRAD52
SCHEMBL6600547 0.71
Hydrochloric Acid SCHEMBL6097451 0.70

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-1462453-A1 Paraphenylenediamin derivatives comprising a substituted pyrrolidinyl group and bearing a cationic radical as well as their use for dyeing keratinic fibres L'OREAL (FR) 2004-09-29 EP disclosed