SCHEMBL28094982

SCHEMBL28094982

c1ccc2c(c1)CCN2N1CCN(c2cccc3ccccc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.51
HTR7 P34969 5/20 0.51
HTR2A P28223 5/20 0.51
SIGMAR1 Q99720 2/20 0.51
HTR3A P46098 2/20 0.51
HTR1D P28221 2/20 0.51
HTR1B P28222 2/20 0.51
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
NCF1 P14598 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
MTOR P42345 1/20 0.51
HTR5A P47898 1/20 0.51
HTR6 P50406 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL9643856 0.80 HTR1A (0.74) HTR1AHTR7HTR2ASIGMAR1HTR3A
Hydrochloric Acid SCHEMBL7203515 0.78 KDM4E (0.75) HTR1AHTR7HTR2ASIGMAR1HTR3A
SCHEMBL6002177 0.75 HTR1A (0.62) HTR1AHTR7HTR2ASIGMAR1HTR3A
SCHEMBL2704963 0.75 ALDH1A1 (0.48) SIGMAR1TSHRKDM4EALDH1A1LMNA
SCHEMBL2548196 0.74 HTR1A (0.57) HTR1AHTR7HTR2ASIGMAR1HTR3A
SCHEMBL29923575 0.74 CYP1A2 (0.53) HTR1AHTR7HTR2ASIGMAR1HTR3A
SCHEMBL2338480 0.73 ALDH1A1 (0.47) SIGMAR1TSHRKDM4EALDH1A1LMNA
SCHEMBL569714 0.73 HTR1A (0.69) HTR1AHTR7HTR2ASIGMAR1HTR3A
SCHEMBL1876619 0.73 NCF1 (0.69) HTR1AHTR7HTR2ASIGMAR1HTR3A
SCHEMBL6218247 0.72 HTR1A (0.62) HTR1AHTR7HTR2ASIGMAR1HTR3A

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
CN-106019682-A PDLC (Polymer Dispersed Liquid Crystal) display panel, PDLC display device and driving method of PDLC display device 京东方科技集团股份有限公司 2016-10-12 CN disclosed