SCHEMBL14009665

SCHEMBL14009665

COc1ccc(Br)cc1N1CCNCC1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.68
HTR3B O95264 2/20 0.68
HTR3A P46098 2/20 0.68
HTR3D Q70Z44 2/20 0.68
HTR3C Q8WXA8 2/20 0.68
HTR6 P50406 15/20 0.61
HTR7 P34969 1/20 0.61
HTR4 Q13639 1/20 0.61
ADRB1 P08588 1/20 0.61
DRD2 P14416 1/20 0.61
CYP2C19 P33261 1/20 0.61
DRD3 P35462 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59

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
SCHEMBL4190135 0.87 HTR6 (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2277814 0.85 TDP1 (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27397067 0.82 HTR6 (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2349863 0.82 HTR3A (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2800657 0.82 HTR6 (0.61) HTR6HTR7HTR4DRD2CYP2C19
SCHEMBL31652018 0.82 HTR3A (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3973132 0.82 HTR3A (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL7711470 0.81 HTR3A (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2873088 0.81 HTR3E (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21198550 0.81 CCR5 (0.63) HTR6HTR7HTR4DRD2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013182612-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-12-12 WO disclosed
WO-2008148867-A2 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2008-12-11 WO disclosed