SCHEMBL6827484

SCHEMBL6827484

NN1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.44
ATM Q13315 2/20 0.44
DRD2 P14416 5/20 0.43
HTR1A P08908 3/20 0.43
HTR2A P28223 3/20 0.43
DRD3 P35462 3/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
KDM1A O60341 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KCNH2 Q12809 1/20 0.40
GRIN2B Q13224 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL18161913 0.79 KDM1A (0.48) ATMDRD2HTR1AHTR2ADRD3
SCHEMBL1066184 0.79 KDM1A (0.48) ATMDRD2HTR1AHTR2ADRD3
SCHEMBL2606127 0.79 QDPR (0.55) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL27481274 0.79 DRD2 (0.58) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL21675821 0.79 PARP10 (0.44) PARP10ATMDRD2HTR1AHTR2A
SCHEMBL18255078 0.79 DRD2 (0.47) PARP10ATMDRD2HTR1AHTR2A
SCHEMBL28130860 0.79 SLC18A3 (0.53) ATMDRD2DRD3NPC1RAB9A
SCHEMBL17529255 0.79 ATM (0.44) PARP10ATMDRD2HTR1AHTR2A
SCHEMBL7344869 0.78 SLC18A3 (0.55) DRD2GRIN2BALDH1A1
SCHEMBL21746443 0.78 KDM1A (0.45) ATMHTR2AKDM1ANPC1RAB9A

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
WO-2004058727-A1 SUBSTITUTED 3,5-DIHYDRO-4H-IMIDAZOL-4-ONES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2004-07-15 WO disclosed