SCHEMBL27499418

SCHEMBL27499418

CCCCCCCCCCCCCCCCCCN1[CH]CCCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.38
GNAI3 P08754 3/20 0.37
GNAO1 P09471 3/20 0.37
GNAI1 P63096 3/20 0.37
ALDH1A1 P00352 2/20 0.37
ALOX5 P09917 2/20 0.35
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
MGLL Q99685 2/20 0.34
FAAH O00519 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2106033 1.00 LTA4H (0.38) LTA4HGNAI3GNAO1GNAI1ALDH1A1
SCHEMBL1168662 0.98 LTA4H (0.35) LTA4HGNAI3GNAO1GNAI1ALDH1A1
SCHEMBL6506570 0.96 L3MBTL1 (0.36) LTA4HGNAI3GNAO1GNAI1ALDH1A1
SCHEMBL9167013 0.94 GNAI3 (0.38) LTA4HGNAI3GNAO1GNAI1ALDH1A1
SCHEMBL294888 0.94 GNAI3 (0.38) LTA4HGNAI3GNAO1GNAI1ALDH1A1
SCHEMBL2099498 0.92 CYP1A2 (0.34) LTA4HCYP1A2CYP2D6L3MBTL1
SCHEMBL1081166 0.92 ALDH1A1 (0.36) LTA4HGNAI3GNAO1GNAI1ALDH1A1
SCHEMBL6506199 0.90 L3MBTL1 (0.33) LTA4HCYP1A2CYP2D6HRH3L3MBTL1
SCHEMBL4914244 0.85
SCHEMBL607241 0.83

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
CN-1231286-A 1,2-Di-substituted piperidine derivative, hair growth promoter and external composition for skin using the same SHISEIDO CO LTD (JP) 1999-10-13 CN disclosed