SCHEMBL7474468

SCHEMBL7474468

CCCCCCCCCCCCCCCCCCNC(=O)OCCC1CCCCN1CCCN(C)C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.46
S1PR3 Q99500 3/20 0.46
S1PR5 Q9H228 3/20 0.46
OPRD1 P41143 1/20 0.45
S1PR4 O95977 1/20 0.45
ACHE P22303 12/20 0.40
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.38
NAAA Q02083 1/20 0.38

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 0.96 S1PR1 (0.47) S1PR1S1PR3S1PR5OPRD1S1PR4
Hydrochloric Acid SCHEMBL7483274 0.95 S1PR1 (0.47) S1PR1S1PR3S1PR5OPRD1S1PR4
SCHEMBL7475719 0.86 SIGMAR1 (0.42) S1PR1S1PR3S1PR5S1PR4HSD17B10
SCHEMBL7472666 0.85 ACHE (0.40) ACHE
SCHEMBL7484231 0.84 DNM1 (0.52) S1PR1S1PR3S1PR5OPRD1S1PR4
Hydrochloric Acid SCHEMBL7478950 0.84 ACHE (0.39) ACHE
SCHEMBL7479038 0.84 ACHE (0.41) ACHE
SCHEMBL7483673 0.84 MEN1 (0.43) ACHE
SCHEMBL7477717 0.82 S1PR1 (0.50) S1PR1S1PR3S1PR5OPRD1S1PR4
SCHEMBL7479926 0.82 MEN1 (0.45) ACHE

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