SCHEMBL7473776

SCHEMBL7473776

CCCCCCCCCCCCCCCCCCN1CCCCC1CCOCCCCCl

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.52
S1PR3 Q99500 3/20 0.52
S1PR5 Q9H228 3/20 0.52
S1PR4 O95977 1/20 0.52
GBA2 Q9HCG7 14/20 0.40
GBA1 P04062 9/20 0.40
SPHK2 Q9NRA0 2/20 0.39
SPHK1 Q9NYA1 2/20 0.39

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
SCHEMBL7475750 0.96 S1PR1 (0.51) S1PR1S1PR3S1PR5S1PR4GBA2
SCHEMBL7479645 0.85 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4GBA2
SCHEMBL7478926 0.83 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4GBA2
SCHEMBL27602528 0.80 S1PR1 (0.71) S1PR1S1PR3S1PR5S1PR4GBA1
SCHEMBL7029045 0.80 S1PR1 (0.71) S1PR1S1PR3S1PR5S1PR4GBA1
SCHEMBL27959059 0.80 S1PR1 (0.71) S1PR1S1PR3S1PR5S1PR4GBA1
SCHEMBL27959074 0.80 S1PR1 (0.71) S1PR1S1PR3S1PR5S1PR4GBA1
SCHEMBL28663946 0.80 S1PR1 (0.71) S1PR1S1PR3S1PR5S1PR4GBA1
SCHEMBL20878453 0.79 S1PR1 (0.65) S1PR1S1PR3S1PR5S1PR4GBA1
Fluoride SCHEMBL30330748 0.78 S1PR1 (0.65) S1PR1S1PR3S1PR5S1PR4GBA1

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 4 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
US-6057337-A USEFUL FOR CARE, IMPROVEMENT OR PREVENTION OF HAIR LOSS SHISEIDO CO., LTD. (JP) 2000-05-02 US disclosed
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
EP-0933361-A1 1,2-Di-substituted piperidine derivatives as hair growth promoter SHISEIDO COMPANY LIMITED (JP) 1999-08-04 EP disclosed