SCHEMBL7479657

SCHEMBL7479657

CCCCCCCCCCCCCCCCCCCCCC(=O)N1CCCCC1CCOC(=O)NCCCN1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX1 P07099 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL7473570 1.00 MAPT (0.49) MAPTALDH1A1MEN1TP53CYP1A2
Hydrochloric Acid SCHEMBL7483776 0.99 MAPT (0.48) MAPTALDH1A1MEN1TP53CYP1A2
Hydrochloric Acid SCHEMBL7480498 0.99 MAPT (0.48) MAPTALDH1A1MEN1TP53CYP1A2
SCHEMBL7474634 0.90 MAPT (0.49) MAPTALDH1A1MEN1CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL7472631 0.89 MAPT (0.49) MAPTALDH1A1MEN1CYP2C9CYP2C19
SCHEMBL7475420 0.89 KDM4E (0.46) MAPTALDH1A1MEN1TP53CYP1A2
SCHEMBL7484189 0.86 MAPT (0.49) MAPTALDH1A1CYP2C9EPHX1GAA
SCHEMBL7475713 0.84 MAPT (0.49) MAPTCYP2C9EPHX1GAA
SCHEMBL8180891 0.84 MEN1 (0.45) MAPTMEN1TP53CYP1A2CYP2D6
SCHEMBL8168628 0.84 MEN1 (0.45) MAPTMEN1TP53CYP1A2CYP2D6

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 5 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
EP-1054886-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-11-29 EP disclosed
US-6057337-A USEFUL FOR CARE, IMPROVEMENT OR PREVENTION OF HAIR LOSS SHISEIDO CO., LTD. (JP) 2000-05-02 US disclosed
WO-1999040088-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-08-12 WO disclosed
EP-0933361-A1 1,2-Di-substituted piperidine derivatives as hair growth promoter SHISEIDO COMPANY LIMITED (JP) 1999-08-04 EP disclosed