SCHEMBL1729604

SCHEMBL1729604

C#CC1CCN(c2ccc3c(Cl)cccc3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.45
HTR1A P08908 2/20 0.45
HTR3A P46098 4/20 0.43
SETDB1 Q15047 1/20 0.41
HTR3E A5X5Y0 3/20 0.40
HTR3B O95264 3/20 0.40
CYP1A2 P05177 3/20 0.40
HTR3D Q70Z44 3/20 0.40
HTR3C Q8WXA8 3/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RX7 Q99572 2/20 0.36
PDE10A Q9Y233 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 2/20 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
SCHEMBL239521 0.78 P2RX7 (0.48) HRH3HTR1AHTR3ASETDB1P2RX7
SCHEMBL6776065 0.77 HTR3A (0.60) HTR1AHTR3AHTR3EHTR3BCYP1A2
SCHEMBL1722973 0.76 HRH3 (0.64) HRH3HTR1AHTR3AHTR3EHTR3B
SCHEMBL5237714 0.74 HTR1A (0.51) HRH3HTR1AHTR3AMEN1KMT2A
SCHEMBL9989008 0.73 PDE10A (0.74) PDE10A
SCHEMBL1728843 0.73 P2RX7 (0.46) HTR1AP2RX7
SCHEMBL27649156 0.73 HTR1A (0.46) HRH3HTR1AHTR3AP2RX7HTT
SCHEMBL1730391 0.73 HTR3E (0.57) HTR3AHTR3EHTR3BCYP1A2HTR3D
SCHEMBL1729381 0.73 GRIN2D (0.47) HRH3HTR3AHTR3EHTR3BCYP1A2
SCHEMBL6769797 0.71 PTPN11 (0.44) HRH3HTR1AHTR3AKDM4EALDH1A1

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