SCHEMBL6851670

SCHEMBL6851670

CCC(CC)CN1CCN(Cc2cc3ccccc3nc2-c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.43
TACR2 P21452 7/20 0.40
TACR3 P29371 6/20 0.40
FAAH O00519 1/20 0.40
PIK3CD O00329 1/20 0.39
OPRM1 P35372 3/20 0.39
PIK3CG P48736 1/20 0.37
BACE1 P56817 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NCF1 P14598 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
AKT1 P31749 2/20 0.36
PIK3C2B O00750 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
SCHEMBL6848935 0.88 SLC2A1 (0.44) PDE10ATACR2TACR3FAAHPIK3CD
SCHEMBL6853013 0.86 HRH3 (0.48) PDE10AFAAHPIK3CDBACE1ALDH1A1
SCHEMBL6848678 0.83 TACR2 (0.53) PDE10ATACR2TACR3FAAHPIK3CD
SCHEMBL6854970 0.82 KMT2A (0.50) PDE10AFAAHALDH1A1NCF1KDM4E
SCHEMBL6853072 0.79 ADORA2A (0.53) TACR3FAAHALDH1A1NCF1MAPT
SCHEMBL5908682 0.78 FAAH (0.42) PDE10AFAAHPIK3CDPIK3CGBACE1
SCHEMBL6853077 0.78 HTR2B (0.49) FAAHALDH1A1KDM4EHTT
SCHEMBL5442168 0.78 PDE10A (0.43) PDE10AFAAHPIK3CDPIK3CGALDH1A1
SCHEMBL6853643 0.77 TSHR (0.55) ALDH1A1KDM4EHTT
SCHEMBL6853186 0.77 LDHA (0.49) PDE10ATACR3FAAHPIK3CDPIK3CG

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-6780875-B2 RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM S.P.A. (IT) 2004-08-24 US disclosed