SCHEMBL7479850

SCHEMBL7479850

CCCCCC(=N)CCC1CCCCN1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
SPHK2 Q9NRA0 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37

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
SCHEMBL4780628 0.86 S1PR1 (0.43) MEN1KMT2AMAPTTP53CYP1A2
SCHEMBL8602693 0.86 S1PR1 (0.43) MEN1KMT2AMAPTTP53CYP1A2
SCHEMBL7692006 0.83 S1PR1 (0.50) MEN1KMT2AMAPTTP53CYP1A2
SCHEMBL4732559 0.81 POLB (0.42) MEN1KMT2AMAPTL3MBTL1SPHK2
SCHEMBL3345264 0.80 POLB (0.39) KMT2AMAPTTP53L3MBTL1
SCHEMBL1651679 0.80 POLB (0.39) KMT2AMAPTTP53L3MBTL1
SCHEMBL5802068 0.75 DPP4 (0.39) MEN1KMT2AMAPTCYP1A2
SCHEMBL14413594 0.73 KMT2A (0.50) MEN1KMT2AMAPTL3MBTL1
SCHEMBL7501298 0.72 S1PR1 (0.43) MEN1KMT2AMAPTTP53CYP1A2
SCHEMBL8365982 0.72 AKR1C3 (0.46) TP53L3MBTL1

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 1 patent. 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