SCHEMBL6853072

SCHEMBL6853072

CC(=O)N1CCN(Cc2cc3ccccc3nc2-c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.53
ADORA1 P30542 1/20 0.53
FAAH O00519 2/20 0.53
ALDH1A1 P00352 3/20 0.52
MAPT P10636 1/20 0.52
TACR3 P29371 1/20 0.52
KMT2A Q03164 3/20 0.47
PKM P14618 1/20 0.47
NCF1 P14598 2/20 0.46
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
HIF1A Q16665 1/20 0.45
SMO Q99835 1/20 0.44
MEN1 O00255 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.44
KDR P35968 1/20 0.44
GRIN2B Q13224 1/20 0.44

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
SCHEMBL6853013 0.84 HRH3 (0.48) FAAHALDH1A1KMT2AHRH3POLB
SCHEMBL6854970 0.82 KMT2A (0.50) FAAHALDH1A1MAPTKMT2ANCF1
SCHEMBL6848678 0.81 TACR2 (0.53) FAAHTACR3HRH3NPSR1SLC2A1
SCHEMBL6848935 0.81 SLC2A1 (0.44) FAAHALDH1A1TACR3NCF1SLC2A1
SCHEMBL5442168 0.80 PDE10A (0.43) ADORA2AADORA1FAAHALDH1A1KMT2A
SCHEMBL6857841 0.80 FAAH (0.43) ADORA2AADORA1FAAHALDH1A1MAPT
SCHEMBL6853186 0.80 LDHA (0.49) ADORA2AADORA1FAAHTACR3KMT2A
SCHEMBL6851740 0.79 AKT1 (0.48) FAAHALDH1A1PKM
SCHEMBL6851670 0.79 PDE10A (0.43) FAAHALDH1A1MAPTTACR3NCF1
SCHEMBL27583471 0.78 FAAH (0.44) FAAHALDH1A1KMT2APKMMEN1

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