SCHEMBL7473656

SCHEMBL7473656

CCCCCCCCCCCCCCCCCCNCCC1CCCCN1C(=O)N(C)CCCN1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
PAOX Q6QHF9 1/20 0.43
ALDH1A1 P00352 3/20 0.39
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
EPHX1 P07099 1/20 0.37
GAA P10253 1/20 0.37
BCHE P06276 1/20 0.36

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
SCHEMBL7480575 0.96 MAPT (0.45) MAPTPAOXALDH1A1TP53CYP3A4
SCHEMBL8198867 0.85 DPP4 (0.39) MAPTPAOXTP53CYP2C9CYP2C19
SCHEMBL7479744 0.84 MAPT (0.50) MAPTTP53BCHE
SCHEMBL7480507 0.83 MAPT (0.45) MAPTALDH1A1TP53EPHX1GAA
SCHEMBL27517935 0.75 NPC1 (0.41) MAPTTP53CYP2C9CYP2C19
SCHEMBL7474633 0.74 MAPT (0.45) MAPTPAOXALDH1A1CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL7472629 0.74 MAPT (0.44) MAPTPAOXALDH1A1CYP3A4CYP2C9
SCHEMBL7471137 0.74 MEN1 (0.45) MAPTTP53CYP2C9CYP2C19
SCHEMBL7480572 0.73 PAOX (0.38) MAPTPAOXALDH1A1CYP3A4CYP2C9
SCHEMBL7474634 0.72 MAPT (0.49) MAPTALDH1A1CYP3A4CYP2C9HPGD

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