SCHEMBL7479738

SCHEMBL7479738

CCCCCCCCCCCCCCCCCC(N(C)C=O)N1CCCCC1CCOCCN1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
MAPK1 P28482 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
HTR2A P28223 1/20 0.33
SCN1A P35498 1/20 0.33
HTR2B P41595 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MMP3 P08254 1/20 0.33
BCHE P06276 3/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.32
S1PR1 P21453 2/20 0.32

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
SCHEMBL7480572 0.87 PAOX (0.38) MAPTALDH1A1MMP3BCHES1PR1
SCHEMBL7479744 0.74 MAPT (0.50) MAPTHRH3BCHEKDM4ES1PR1
SCHEMBL3308768 0.69 ALDH1A1 (0.57) MAPK1SIGMAR1ALDH1A1CYP1A2CHRM2
SCHEMBL26941298 0.69 ALDH1A1 (0.57) MAPK1SIGMAR1ALDH1A1CYP1A2CHRM2
SCHEMBL10580214 0.69 ALDH1A1 (0.57) MAPK1SIGMAR1ALDH1A1CYP1A2CHRM2
SCHEMBL18593740 0.69 ALDH1A1 (0.57) MAPK1SIGMAR1ALDH1A1CYP1A2CHRM2
SCHEMBL12120134 0.69 ALDH1A1 (0.57) MAPK1SIGMAR1ALDH1A1CYP1A2CHRM2
SCHEMBL12120133 0.69 ALDH1A1 (0.57) MAPK1SIGMAR1ALDH1A1CYP1A2CHRM2
SCHEMBL3308073 0.68 ALDH1A1 (0.55) MAPK1SIGMAR1ALDH1A1CYP1A2CHRM2
SCHEMBL10962376 0.68 ALDH1A1 (0.55) MAPK1SIGMAR1ALDH1A1CYP1A2CHRM2

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