SCHEMBL18965005

SCHEMBL18965005

C1=CN(c2ccc3ccccc3c2)CN1c1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR5A P47898 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
HSP90AA1 P07900 1/20 0.47
ALDH1A1 P00352 4/20 0.44
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
NOTUM Q6P988 1/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 2/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL27811840 0.75 HTR3A (0.46) HTR3ASIGMAR1HTR3EHTR3BHTR5A
SCHEMBL6400292 0.73 HSP90AA1 (0.61) HTR3ASIGMAR1HTR3EHTR3BHTR5A
SCHEMBL1007069 0.71 MAPT (0.39) HTR3ASIGMAR1HTR3EHTR3BHTR3D
SCHEMBL13886638 0.70 HSP90AA1 (0.57) HTR3ASIGMAR1HTR3EHTR3BHTR5A
SCHEMBL29594813 0.70 HTR3A (0.69) HTR3ASIGMAR1HTR3EHTR3BHTR5A
SCHEMBL16786542 0.70 HTR3A (0.53) HTR3ASIGMAR1HTR3EHTR3BHTR5A
SCHEMBL3534699 0.70 HTR3A (0.69) HTR3ASIGMAR1HTR3EHTR3BHTR5A
Bromide SCHEMBL30903858 0.69 MAPT (0.38) HTR3ASIGMAR1HTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL1156365 0.69 SMN1; SMN2 (0.41) HTR3ASIGMAR1HTR3EHTR3BHTR3D
SCHEMBL13886639 0.68 HSP90AA1 (0.61) HTR3ASIGMAR1HTR3EHTR3BHTR5A

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
US-20170170420-A1 ORGANIC ELECTROLUMINESCENCE DEVICE CANON KABUSHIKI KAISHA (JP) 2017-06-15 US disclosed