SCHEMBL9429950

SCHEMBL9429950

CN1CCN(c2nc(Cl)nc3cccc(F)c23)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
HRH4 Q9H3N8 8/20 0.51
HTR3B O95264 3/20 0.51
HTR3A P46098 3/20 0.51
HTR3E A5X5Y0 2/20 0.44
HTR3D Q70Z44 2/20 0.44
HTR3C Q8WXA8 2/20 0.44
TRPV4 Q9HBA0 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL9404344 0.83 MAPT (0.38) SMN1; SMN2MEN1KMT2A
SCHEMBL9404448 0.83 POLB (0.50) SMN1; SMN2MEN1KMT2A
SCHEMBL9404233 0.83 HRH4 (0.51) SMN1; SMN2HRH4HTR3BHTR3AHTR3E
SCHEMBL9404287 0.77 TSHR (0.44) SMN1; SMN2MEN1KMT2A
SCHEMBL9404290 0.77 TSHR (0.44) SMN1; SMN2MEN1KMT2A
SCHEMBL5320912 0.77 HTR3B (0.69) SMN1; SMN2HRH4HTR3BHTR3AHTR3E
Hydrochloric Acid SCHEMBL11740107 0.75 HTR3B (0.68) SMN1; SMN2HRH4HTR3BHTR3AHTR3E
SCHEMBL24813111 0.75 ABL1 (0.35) SMN1; SMN2HRH4HTR3BHTR3ATRPV4
SCHEMBL30047583 0.75 ABL1 (0.35) SMN1; SMN2HRH4HTR3BHTR3ATRPV4
SCHEMBL24813514 0.75 KDM4E (0.34) SMN1; SMN2HRH4HTR3BHTR3ATRPV4

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-5371080-A Central nervous system disorders NOVO NORDISK A/S 1994-12-06 US disclosed