SCHEMBL5777917

SCHEMBL5777917

[CH]1CCN(c2ccc3ccccc3n2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.69
KDM4E B2RXH2 7/20 0.69
ALDH1A1 P00352 6/20 0.69
HTR3E A5X5Y0 2/20 0.69
HTR3B O95264 2/20 0.69
CYP1A2 P05177 2/20 0.69
HTR3A P46098 2/20 0.69
HTR3D Q70Z44 2/20 0.69
HTR3C Q8WXA8 2/20 0.69
TDP1 Q9NUW8 2/20 0.69
CYP3A4 P08684 2/20 0.69
HSD17B10 Q99714 2/20 0.69
HTR1A P08908 2/20 0.69
USP2 O75604 1/20 0.69
ADRB1 P08588 1/20 0.69
HTR2C P28335 1/20 0.69
MAPK1 P28482 1/20 0.69
SLC6A4 P31645 1/20 0.69
HTR7 P34969 1/20 0.69
HTT P42858 1/20 0.69

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
SCHEMBL5664122 0.86 HRH3 (0.71) HRH3KDM4EALDH1A1HTR3EHTR3B
SCHEMBL30824499 0.86 HRH3 (0.71) HRH3KDM4EALDH1A1HTR3EHTR3B
SCHEMBL29604668 0.86 HRH3 (0.71) HRH3KDM4EALDH1A1HTR3EHTR3B
SCHEMBL844364 0.85 HRH3 (0.69) HRH3KDM4EALDH1A1HTR3EHTR3B
SCHEMBL31260651 0.85 HRH3 (0.69) HRH3KDM4EALDH1A1HTR3EHTR3B
SCHEMBL14528427 0.85 HRH3 (0.69) HRH3KDM4EALDH1A1HTR3EHTR3B
SCHEMBL1366931 0.83 HRH3 (0.67) HRH3KDM4EALDH1A1HTR3EHTR3B
SCHEMBL606721 0.81 HRH3 (1.00) HRH3KDM4EALDH1A1HTR3EHTR3B
Quipazine SCHEMBL322181 0.81 KDM4E (1.00) HRH3KDM4EALDH1A1HTR3EHTR3B
SCHEMBL2123816 0.81 KDM4E (0.65) HRH3KDM4EALDH1A1HTR3EHTR3B

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-1633735-A1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2006-03-15 EP disclosed
WO-2004099176-A1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2004-11-18 WO disclosed
US-6110939-A AS A SUBSTANCE P ANTAGONISTS TREATING TACHYKININ-MEDIATED DISEASE, ASTHMA, CENTRAL NERVOUS SYSTEM DISORDER JANSSEN PHARMACEUTICA N.V. (BE) 2000-08-29 US disclosed