SCHEMBL1729992

SCHEMBL1729992

C#CC1(F)CCN(c2ccc3ccccc3n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 3/20 0.57
HTR3E A5X5Y0 2/20 0.57
HTR3B O95264 2/20 0.57
CYP1A2 P05177 2/20 0.57
HTR3A P46098 2/20 0.57
HTR3D Q70Z44 2/20 0.57
HTR3C Q8WXA8 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
CYP3A4 P08684 2/20 0.57
HSD17B10 Q99714 2/20 0.57
USP2 O75604 1/20 0.57
ADRB1 P08588 1/20 0.57
HTR1A P08908 1/20 0.57
HTR2C P28335 1/20 0.57
MAPK1 P28482 1/20 0.57
SLC6A4 P31645 1/20 0.57
HTR7 P34969 1/20 0.57
HTT P42858 1/20 0.57
HTR6 P50406 1/20 0.57

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
SCHEMBL26646352 0.83 PDE10A (0.63) KDM4EALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL31105866 0.78 PDE10A (0.58) KDM4EALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL241135 0.75 SORD (0.53) KDM4EALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL29604668 0.74 HRH3 (0.71) KDM4EALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL5664122 0.74 HRH3 (0.71) KDM4EALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL30824499 0.74 HRH3 (0.71) KDM4EALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL10609229 0.74 KDM4E (0.56) KDM4EALDH1A1HTR3EHTR3BCYP1A2
Quipazine SCHEMBL322181 0.73 KDM4E (1.00) KDM4EALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL844364 0.73 HRH3 (0.69) KDM4EALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL31260651 0.73 HRH3 (0.69) KDM4EALDH1A1HTR3EHTR3BCYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP disclosed