SCHEMBL8425620

SCHEMBL8425620

COc1ccc(F)c(CC2(N3CCNCC3)CCC(O)(c3ccc(F)cc3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.41
DRD3 P35462 8/20 0.41
DRD4 P21917 5/20 0.39
HTR1A P08908 1/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR7 P34969 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
HTR6 P50406 1/20 0.36
MTNR1B P49286 1/20 0.36
CFTR P13569 1/20 0.36

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
SCHEMBL8422351 0.88 DRD2 (0.39) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL8421954 0.87 LMNA (0.48) SIGMAR1
SCHEMBL8422440 0.84 SLC6A2 (0.41) SLC6A2SLC6A4
SCHEMBL8520559 0.77 DRD2 (0.38) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL8423536 0.77 LMNA (0.47) SIGMAR1
SCHEMBL8424657 0.77 OPRL1 (0.49) DRD2DRD3DRD4SLC6A2SIGMAR1
SCHEMBL8423876 0.76 SLC6A2 (0.46) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL8425640 0.74 TACR1 (0.41) SLC6A2SLC6A4
SCHEMBL8520123 0.73 MAPT (0.49)
SCHEMBL8422264 0.71 HTR1D (0.57) SIGMAR1

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-5919802-A Methods of preventing and/or treating temporal lobe epilepsy PRINCETON UNIVERSITY (US) 1999-07-06 US disclosed