SCHEMBL8227789

SCHEMBL8227789

C=CCN1CC2(CCNCC2)C1c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 3/20 0.34
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
RECQL P46063 1/20 0.33
SLC6A2 P23975 2/20 0.32
DRD3 P35462 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A4 P31645 1/20 0.32
PRCP P42785 2/20 0.31
OPRK1 P41145 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL8219194 0.77 SIGMAR1 (0.41) CACNA1HRECQLSLC6A2SLC6A4OPRK1
SCHEMBL8221209 0.73 CACNA1H (0.70) CACNA1HALDH1A1
SCHEMBL12777762 0.68 TSHR (0.35) CACNA1HMAPTRECQLKDM4EALDH1A1
SCHEMBL6025678 0.62 LIG1 (0.38) TDP1RECQLSLC6A2SLC6A4
SCHEMBL6025232 0.62 LIG1 (0.38) TDP1RECQLSLC6A2SLC6A4
SCHEMBL6024476 0.62 LIG1 (0.38) TDP1RECQLSLC6A2SLC6A4
SCHEMBL23466168 0.60 LIG1 (0.42) TDP1RECQLSLC6A2SLC6A4
SCHEMBL21418971 0.60 LIG1 (0.42) TDP1RECQLSLC6A2SLC6A4
SCHEMBL21418957 0.60 LIG1 (0.42) TDP1RECQLSLC6A2SLC6A4
SCHEMBL17725137 0.60 LIG1 (0.42) TDP1RECQLSLC6A2SLC6A4

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-2008033456-A1 SPIRO-CONDENSED AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABILISM SCHERING CORPORATION (US) 2008-03-20 WO disclosed