SCHEMBL7480507

SCHEMBL7480507

CN(CCCN1CCOCC1)C(=O)N1CCCCC1CCO

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
TP53 P04637 2/20 0.43
ALDH1A1 P00352 2/20 0.40
EPHX1 P07099 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL7473656 0.83 MAPT (0.45) MAPTTP53ALDH1A1EPHX1GAA
SCHEMBL7473837 0.82 AKR1C3 (0.38) HRH3KCNH2
SCHEMBL7479744 0.81 MAPT (0.50) MAPTTP53KMT2AMEN1HRH3
SCHEMBL7480575 0.81 MAPT (0.45) MAPTTP53ALDH1A1EPHX1GAA
SCHEMBL27517935 0.80 NPC1 (0.41) MAPTTP53KMT2AMEN1
SCHEMBL7477516 0.79 MAPT (0.45) MAPTTP53ALDH1A1NPSR1KMT2A
SCHEMBL7478289 0.74 TP53 (0.47) MAPTTP53ALDH1A1EPHX1GAA
SCHEMBL25387621 0.70 GLA (0.49) ALDH1A1GAANPSR1KMT2AMEN1
SCHEMBL7979603 0.69 ALDH1A1 (0.47) ALDH1A1GAANPSR1KMT2AMEN1
SCHEMBL3231982 0.69 GAA (0.50) ALDH1A1GAANPSR1KMT2AMEN1

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