SCHEMBL6601360

SCHEMBL6601360

C[N+](C)(C)CC1CCCN1c1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.39
KDM4E B2RXH2 4/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 3/20 0.36
KMT2A Q03164 2/20 0.36
THRB P10828 2/20 0.36
RECQL P46063 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GFER P55789 2/20 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
Hydrochloric Acid SCHEMBL6095710 0.98 FFAR1 (0.39) FFAR1KDM4EMAPTALDH1A1GAA
SCHEMBL2928477 0.85 FFAR1 (0.39) FFAR1KDM4EMAPTALDH1A1GAA
SCHEMBL2928844 0.84 FFAR1 (0.38) FFAR1KDM4EMAPTALDH1A1GAA
Hydrochloric Acid SCHEMBL6506234 0.84 FFAR1 (0.38) FFAR1KDM4EMAPTALDH1A1GAA
Hydrochloric Acid SCHEMBL6495408 0.83 FFAR1 (0.38) FFAR1KDM4EMAPTALDH1A1GAA
SCHEMBL4890984 0.79 FFAR1 (0.43) FFAR1KDM4EMAPTALDH1A1GAA
SCHEMBL78460 0.79 FFAR1 (0.43) FFAR1KDM4EMAPTALDH1A1GAA
SCHEMBL2447116 0.78 FPR1 (0.47) FFAR1PPARG
SCHEMBL6622882 0.78 FFAR1 (0.39) FFAR1KDM4EMAPTALDH1A1GAA
SCHEMBL2448887 0.78 FPR1 (0.47) FFAR1PPARG

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