SCHEMBL7470756

SCHEMBL7470756

CN(C)CCCNC(=O)N1CCCCC1CCO

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.40
LMNA P02545 1/20 0.40
NAMPT P43490 1/20 0.39
ALDH1A1 P00352 2/20 0.37
AKR1C3 P42330 1/20 0.37
P2RX4 Q99571 1/20 0.37
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
VNN1 O95497 1/20 0.35
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL7473013 0.84 NAAA (0.47) NPSR1
SCHEMBL7475772 0.84 HRH3 (0.42) HRH3NAMPTALDH1A1AKR1C3MAPT
SCHEMBL7477702 0.83 DNM1 (0.41) HRH3NPSR1
SCHEMBL7476213 0.81 RAB9A (0.44) AKR1C3NPC1
SCHEMBL7472666 0.80 ACHE (0.40)
SCHEMBL7473772 0.80 HRH3 (0.35) HRH3LMNAALDH1A1KDM4ENPSR1
SCHEMBL7473837 0.80 AKR1C3 (0.38) HRH3NAMPTAKR1C3NPC1VNN1
SCHEMBL7477369 0.80 MEN1 (0.39) MAPT
Hydrochloric Acid SCHEMBL7478950 0.80 ACHE (0.39)
SCHEMBL7481713 0.79 DNM1 (0.38) HRH3MAPTNPSR1

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