SCHEMBL7479943

SCHEMBL7479943

CCCCCCCCCCCCCCCCCCNC(=O)N1CCCCC1CCOC(=O)NCCN

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
ACHE P22303 7/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7484148 0.90 KDM4E (0.50) GNAI3GNAO1GNAI1ACHETP53
SCHEMBL7471618 0.90 KDM4E (0.45) GNAI3GNAO1GNAI1ACHETP53
SCHEMBL7472666 0.88 ACHE (0.40) ACHE
SCHEMBL7479747 0.87 ACHE (0.39) ACHE
Hydrochloric Acid SCHEMBL7478950 0.87 ACHE (0.39) ACHE
SCHEMBL7473548 0.86 ACHE (0.40) ACHE
SCHEMBL8175564 0.86 L3MBTL1 (0.41) GNAI3GNAO1GNAI1ACHEMAPT
SCHEMBL7481061 0.85 NAAA (0.38) MAPT
SCHEMBL7474634 0.85 MAPT (0.49) MEN1MAPTCYP2C9CYP2C19KMT2A
SCHEMBL7484189 0.85 MAPT (0.49) MAPTCYP2C9

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