SCHEMBL7475772

SCHEMBL7475772

O=C(NCCCCl)N1CCCCC1CCO

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.42
NAMPT P43490 1/20 0.40
AKR1C3 P42330 1/20 0.39
VNN1 O95497 1/20 0.38
EPHX2 P34913 2/20 0.36
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 1/20 0.36
MAPT P10636 1/20 0.35
FKBP1A P62942 1/20 0.35
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
TERT O14746 1/20 0.34

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
SCHEMBL7473013 0.84 NAAA (0.47) EPHX2
SCHEMBL7470756 0.84 HRH3 (0.40) HRH3NAMPTAKR1C3VNN1KCNH2
SCHEMBL7480867 0.80 NPSR1 (0.40) HRH3EPHX2MAPTPOLB
SCHEMBL7482518 0.78 RAB9A (0.45) NAMPTAKR1C3POLBKMT2A
SCHEMBL7478289 0.76 TP53 (0.47) HRH3MAPTALDH1A1
SCHEMBL3345206 0.76 NAMPT (0.44) HRH3NAMPTAKR1C3VNN1EPHX2
SCHEMBL771962 0.74 NPC1 (0.49) HRH3EPHX2FKBP1APOLB
SCHEMBL13873084 0.72 NAMPT (0.42) HRH3NAMPTAKR1C3VNN1EPHX2
SCHEMBL1967273 0.72 AKR1C3 (0.47) NAMPTAKR1C3VNN1POLBL3MBTL1
SCHEMBL20590901 0.72 AKR1C3 (0.47) NAMPTAKR1C3VNN1POLBL3MBTL1

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