SCHEMBL6848935

SCHEMBL6848935

CC(C)CN1CCN(Cc2cc3ccccc3nc2-c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.44
PDE10A Q9Y233 1/20 0.44
FAAH O00519 1/20 0.42
TACR2 P21452 7/20 0.41
TACR3 P29371 7/20 0.40
PIK3CD O00329 1/20 0.40
CYP2D6 P10635 1/20 0.40
OPRM1 P35372 3/20 0.38
KCNH2 Q12809 1/20 0.38
BACE1 P56817 1/20 0.38
PIK3CG P48736 1/20 0.38
NCF1 P14598 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6851670 0.88 PDE10A (0.43) PDE10AFAAHTACR2TACR3PIK3CD
SCHEMBL6848678 0.88 TACR2 (0.53) SLC2A1PDE10AFAAHTACR2TACR3
SCHEMBL6853013 0.86 HRH3 (0.48) SLC2A1PDE10AFAAHPIK3CDCYP2D6
SCHEMBL6854970 0.84 KMT2A (0.50) PDE10AFAAHCYP2D6KCNH2NCF1
SCHEMBL6853072 0.81 ADORA2A (0.53) SLC2A1FAAHTACR3NCF1ALDH1A1
SCHEMBL5908682 0.80 FAAH (0.42) PDE10AFAAHPIK3CDBACE1PIK3CG
SCHEMBL6853077 0.80 HTR2B (0.49) FAAHKDM4EALDH1A1HTT
SCHEMBL5442168 0.80 PDE10A (0.43) PDE10AFAAHPIK3CDPIK3CGKDM4E
SCHEMBL6853643 0.79 TSHR (0.55) KDM4EALDH1A1HTT
SCHEMBL6853186 0.79 LDHA (0.49) PDE10AFAAHTACR3PIK3CDKCNH2

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