SCHEMBL7475727

SCHEMBL7475727

CCCCCCCCCCCCCCCCC(C)NC(=O)N1CCCCC1CCON(C=O)CCCN1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
MMP3 P08254 3/20 0.35
MMP9 P14780 2/20 0.33
MMP1 P03956 1/20 0.33
TP53 P04637 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL7474633 0.87 MAPT (0.45) MAPTCYP2C9CYP2C19
SCHEMBL7480389 0.87 MEN1 (0.34) MAPTTP53KMT2AMEN1CYP1A2
Hydrochloric Acid SCHEMBL7472629 0.86 MAPT (0.44) MAPTCYP2C9CYP2C19
SCHEMBL8299995 0.85 MEN1 (0.34) MAPTTP53KMT2AMEN1CYP1A2
SCHEMBL7484182 0.85 MAPT (0.45) MAPTMMP3TP53CYP2C9CYP2C19
SCHEMBL7474801 0.84 MAPT (0.47) MAPTTP53KMT2AMEN1CYP1A2
Hydrochloric Acid SCHEMBL7480495 0.84 MAPT (0.46) MAPTTP53KMT2AMEN1CYP1A2
SCHEMBL7471608 0.79 KDM4E (0.39) MAPTTP53
SCHEMBL8175563 0.78 GNAI3 (0.38) MAPTTP53
SCHEMBL7484144 0.77 KDM4E (0.41) MAPTTP53

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-0933361-B1 1,2-Di-substituted piperidine derivatives as hair growth promoter SHISEIDO CO LTD (JP) 2002-03-27 EP disclosed
EP-0933361-A1 1,2-Di-substituted piperidine derivatives as hair growth promoter SHISEIDO COMPANY LIMITED (JP) 1999-08-04 EP disclosed