SCHEMBL8145376

SCHEMBL8145376

Cn1nc(N2CCN(Cc3ccccc3)CC2)c2ccc(F)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.53
HTR3B O95264 2/20 0.53
HTR3A P46098 2/20 0.53
HTR3D Q70Z44 2/20 0.53
HTR3C Q8WXA8 2/20 0.53
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
HTR2C P28335 2/20 0.45
HTR1A P08908 1/20 0.45
MC4R P32245 1/20 0.44
ACHE P22303 2/20 0.44
BACE1 P56817 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NCF1 P14598 1/20 0.44
HSD11B1 P28845 1/20 0.44
SMO Q99835 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
Hydrochloric Acid SCHEMBL9198955 0.77 ALDH1A1 (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8128906 0.76 HRH4 (0.44) HTR1A
SCHEMBL9772634 0.76 HTR3E (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9680590 0.74 KHK (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2961731 0.73 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL9682507 0.73 KHK (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20445526 0.73 SMO (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30726276 0.73 DDB1 (0.60) DRD4
SCHEMBL27073829 0.73 DDB1 (0.60) DRD4
SCHEMBL27187355 0.72 KHK (0.44) LMNAALDH1A1KDM4EMAPTMEN1

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
EP-0971926-A1 DIHYDROPYRAZINO 1,2-$i(A)-]INDOLE-1-ONE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS SANOFI-SYNTHELABO (FR) 2000-01-19 EP disclosed
WO-1998042710-A1 DIHYDROPYRAZINO [1,2-A-]INDOLE-1-ONE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS SANOFI-SYNTHELABO (FR) 1998-10-01 WO disclosed