SCHEMBL7475719

SCHEMBL7475719

CN(C)CCCNC(=O)OCCC1CCCCN1CCCCCCCCCCCCC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
HRH4 Q9H3N8 3/20 0.40
HRH3 Q9Y5N1 3/20 0.40
NAAA Q02083 10/20 0.39
EPHX1 P07099 1/20 0.39
S1PR1 P21453 3/20 0.38
S1PR3 Q99500 3/20 0.38
S1PR5 Q9H228 3/20 0.38
HSD17B10 Q99714 1/20 0.37
FKBP1A P62942 1/20 0.37
S1PR4 O95977 1/20 0.36
ASAH1 Q13510 1/20 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
SCHEMBL7472834 0.90 S1PR1 (0.47) S1PR1S1PR3S1PR5S1PR4
Hydrochloric Acid SCHEMBL7483274 0.89 S1PR1 (0.47) S1PR1S1PR3S1PR5S1PR4
SCHEMBL7474468 0.86 S1PR1 (0.46) NAAAS1PR1S1PR3S1PR5HSD17B10
SCHEMBL7475716 0.76 SIGMAR1 (0.44) SIGMAR1S1PR1S1PR3S1PR5FKBP1A
SCHEMBL8168786 0.76 POLB (0.48) EPHX1FKBP1A
SCHEMBL7472666 0.75 ACHE (0.40)
SCHEMBL7479926 0.74 MEN1 (0.45)
SCHEMBL7470070 0.74 MEN1 (0.45)
SCHEMBL8180891 0.74 MEN1 (0.45)
Hydrochloric Acid SCHEMBL7478950 0.74 ACHE (0.39)

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