SCHEMBL8299995

SCHEMBL8299995

CCCCCCCCCCCCCCCCC(C)NC(=O)N1CCCCC1CCON(C=O)CCCN(CCO)CCO

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GALR3 O60755 1/20 0.34
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7480389 0.91 MEN1 (0.34) MEN1KMT2AGALR3TP53CYP1A2
SCHEMBL7473546 0.86 DPP4 (0.33) MEN1KMT2AGALR3
SCHEMBL7475727 0.85 MAPT (0.42) MEN1KMT2ATP53CYP1A2CYP2D6
SCHEMBL7479745 0.78 DPP4 (0.34)
SCHEMBL7472660 0.77 DPP4 (0.35)
SCHEMBL7473775 0.77 DNM1 (0.37)
Hydrochloric Acid SCHEMBL7478947 0.76 DPP4 (0.34)
SCHEMBL7482931 0.76 DPP4 (0.33) MEN1KMT2ATP53CYP1A2CYP2D6
SCHEMBL7479938 0.74 MEN1 (0.38) MEN1KMT2ATP53CYP1A2CYP2D6
SCHEMBL7481147 0.74 HRH3 (0.42) ATML3MBTL1

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