SCHEMBL9530357

SCHEMBL9530357

FC(F)(F)c1cccc(C2=CCNC(CCC3OCCO3)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.47
HRH1 P35367 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
HTR1A P08908 1/20 0.35
SCN2A Q99250 1/20 0.34
GRIN1 Q05586 5/20 0.34
GRIN2B Q13224 5/20 0.34
KDM1A O60341 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL9529654 0.84 ESR2 (0.32)
SCHEMBL9531972 0.82 HTR2C (0.44) HTR2CHRH1CNR2
SCHEMBL9531304 0.82 NISCH (0.35)
SCHEMBL7439313 0.80 MAOB (0.46) HTR2CHRH1HRH4SCN2AKDM1A
SCHEMBL8540798 0.79 HTR2C (0.44) HTR2CHRH1HRH4SCN2AGRIN1
SCHEMBL7435086 0.79 HTR2C (0.49) HTR2CHRH1HRH4SCN2AGRIN1
SCHEMBL9875803 0.78 HTR2C (0.41) HTR2C
SCHEMBL7100010 0.77 HTR2C (0.43) HTR2CHRH1HRH4SCN2A
SCHEMBL8541203 0.76 HTR2C (0.42) HTR2CHRH1HRH4
Hydrochloric Acid SCHEMBL1742023 0.76 HTR2C (0.44) HTR2CHRH1HRH4SCN2A

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-0556342-A1 NEW 1-AZABICYCLOALKANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME GYOGYSZERKUTATO INTEZET K.V. (HU) 1993-08-25 EP disclosed
WO-1992007854-A1 NEW 1-AZABICYCLOALKANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME GYÓGYSZERKUTATÓ INTÉZET KV. (HU) 1992-05-14 WO disclosed