SCHEMBL9404544

SCHEMBL9404544

CN1CCN(c2nc(Cl)nc3c(Cl)cccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.53
HTR3B O95264 3/20 0.50
HTR3A P46098 3/20 0.50
HTR3E A5X5Y0 2/20 0.50
HTR3D Q70Z44 2/20 0.50
HTR3C Q8WXA8 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.44

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
SCHEMBL4090399 0.82 ABCB1 (0.57) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL9404476 0.82 KDM4E (0.50) SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL5320912 0.79 HTR3B (0.69) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL1084086 0.79 MEN1 (0.69) HRH4ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL11740107 0.78 HTR3B (0.68) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL2536412 0.74 HTR3B (0.62) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL21637847 0.72 SMN1; SMN2 (0.48) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL3679992 0.72 HRH4 (0.61) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL29343953 0.71 SMN1; SMN2 (0.54) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL25720390 0.71 SMN1; SMN2 (0.47) HRH4HTR3BHTR3AHTR3EHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5371080-A Central nervous system disorders NOVO NORDISK A/S 1994-12-06 US disclosed
EP-0619820-A1 IMIDAZOQUINAZOLINE COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-10-19 EP disclosed
WO-1993013103-A1 IMIDAZOQUINAZOLINE COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1993-07-08 WO disclosed