SCHEMBL7473837

SCHEMBL7473837

CN(C)CCCN(C)C(=O)N1CCCCC1CCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.38
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
NPC1 O15118 1/20 0.36
NAMPT P43490 1/20 0.35
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA1 P30542 1/20 0.34
VNN1 O95497 1/20 0.33
OPRK1 P41145 1/20 0.33
MITF O75030 1/20 0.33

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
SCHEMBL27517935 0.87 NPC1 (0.41) AKR1C3NPC1
SCHEMBL7476213 0.82 RAB9A (0.44) AKR1C3NPC1POLBOPRK1MITF
SCHEMBL7480507 0.82 MAPT (0.45) KCNH2HRH3
SCHEMBL7470756 0.80 HRH3 (0.40) AKR1C3KCNH2HRH3NPC1NAMPT
SCHEMBL8198867 0.80 DPP4 (0.39)
SCHEMBL8174166 0.78 S1PR1 (0.37) SIGMAR1F2PRSS1
SCHEMBL7479965 0.75 POLB (0.38) KCNH2HRH3POLB
SCHEMBL22968141 0.73 AKR1C3 (0.46) AKR1C3NPC1NAMPTCHRM2CHRM4
SCHEMBL19277071 0.73 AKR1C3 (0.46) AKR1C3NPC1NAMPTCHRM2CHRM4
SCHEMBL13290439 0.73 AKR1C3 (0.46) AKR1C3NPC1NAMPTCHRM2CHRM4

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