SCHEMBL7472834

SCHEMBL7472834

CCCCCCCCCCCCCCCCCCN1CCCCC1CCOC(=O)NCCCN(C)C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.47
S1PR3 Q99500 3/20 0.47
S1PR5 Q9H228 3/20 0.47
S1PR4 O95977 1/20 0.47
OPRD1 P41143 1/20 0.45
ACHE P22303 14/20 0.40
DNM1 Q05193 1/20 0.40

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 SCHEMBL7483274 0.99 S1PR1 (0.47) S1PR1S1PR3S1PR5S1PR4OPRD1
SCHEMBL7474468 0.96 S1PR1 (0.46) S1PR1S1PR3S1PR5S1PR4OPRD1
SCHEMBL7475719 0.90 SIGMAR1 (0.42) S1PR1S1PR3S1PR5S1PR4
SCHEMBL7472666 0.85 ACHE (0.40) ACHEDNM1
SCHEMBL7477717 0.84 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4OPRD1
SCHEMBL7479926 0.84 MEN1 (0.45) ACHEDNM1
Hydrochloric Acid SCHEMBL7478950 0.84 ACHE (0.39) ACHEDNM1
SCHEMBL7470070 0.84 MEN1 (0.45) ACHEDNM1
SCHEMBL8180891 0.84 MEN1 (0.45) ACHEDNM1
SCHEMBL7470814 0.84 ACHE (0.44) ACHEDNM1

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 3 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
EP-0933361-A1 1,2-Di-substituted piperidine derivatives as hair growth promoter SHISEIDO COMPANY LIMITED (JP) 1999-08-04 EP disclosed