SCHEMBL7474634

SCHEMBL7474634

CCCCCCCCCCCCCCCCCCNC(=O)N1CCCCC1CCOC(=O)NCCCN1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
ALDH1A1 P00352 3/20 0.45
EPHX1 P07099 1/20 0.43
GAA P10253 1/20 0.43
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
EPHX2 P34913 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
Hydrochloric Acid SCHEMBL7472631 0.99 MAPT (0.49) MAPTALDH1A1EPHX1GAACYP3A4
SCHEMBL7484189 0.96 MAPT (0.49) MAPTALDH1A1EPHX1GAACYP2C9
SCHEMBL7471618 0.91 KDM4E (0.45) MAPTKDM4E
SCHEMBL7479657 0.90 MAPT (0.49) MAPTALDH1A1EPHX1GAACYP2C9
SCHEMBL7473570 0.90 MAPT (0.49) MAPTALDH1A1EPHX1GAACYP2C9
SCHEMBL8175564 0.90 L3MBTL1 (0.41) MAPTGAAKDM4E
SCHEMBL7484148 0.89 KDM4E (0.50) MAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7483776 0.89 MAPT (0.48) MAPTALDH1A1EPHX1GAACYP2C9
Hydrochloric Acid SCHEMBL7480498 0.89 MAPT (0.48) MAPTALDH1A1EPHX1GAACYP2C9
SCHEMBL7479943 0.85 GNAI3 (0.42) MAPTCYP2C9CYP2C19MEN1KMT2A

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