SCHEMBL7473778

SCHEMBL7473778

CCCCCCCCCCCCCCCCCC(NC=O)OCCC1CCCCN1C(=O)NCCCN(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
DNM1 Q05193 1/20 0.34
GALR3 O60755 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
SCHEMBL7481710 0.83 MEN1 (0.36) MEN1KMT2ATP53CYP1A2CYP2D6
SCHEMBL7477702 0.82 DNM1 (0.41) DNM1
SCHEMBL7473775 0.80 DNM1 (0.37) DNM1
SCHEMBL7472666 0.80 ACHE (0.40) DNM1
SCHEMBL7477369 0.79 MEN1 (0.39) MEN1KMT2ATP53CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL7478950 0.79 ACHE (0.39) DNM1
SCHEMBL7472660 0.79 DPP4 (0.35) DNM1
SCHEMBL7481713 0.78 DNM1 (0.38) MEN1KMT2ATP53CYP1A2CYP2D6
SCHEMBL7473772 0.78 HRH3 (0.35)
Hydrochloric Acid SCHEMBL7478947 0.78 DPP4 (0.34) DNM1

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