SCHEMBL6853013

SCHEMBL6853013

CCN1CCN(Cc2cc3ccccc3nc2-c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.48
PDE10A Q9Y233 1/20 0.48
KMT2A Q03164 2/20 0.47
FAAH O00519 1/20 0.44
PIK3CD O00329 1/20 0.42
BACE1 P56817 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
SLC2A1 P11166 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6854970 0.88 KMT2A (0.50) PDE10AKMT2AFAAHKDM4EALDH1A1
SCHEMBL6851670 0.86 PDE10A (0.43) PDE10AFAAHPIK3CDBACE1KDM4E
SCHEMBL6848935 0.86 SLC2A1 (0.44) PDE10AFAAHPIK3CDBACE1SLC2A1
SCHEMBL6848678 0.86 TACR2 (0.53) HRH3PDE10AFAAHPIK3CDBACE1
SCHEMBL6853072 0.84 ADORA2A (0.53) HRH3KMT2AFAAHSLC2A1ALDH1A1
SCHEMBL5908682 0.83 FAAH (0.42) PDE10AKMT2AFAAHPIK3CDBACE1
SCHEMBL6853077 0.83 HTR2B (0.49) KMT2AFAAHKDM4EALDH1A1CYP2C9
SCHEMBL5442168 0.83 PDE10A (0.43) PDE10AKMT2AFAAHPIK3CDKDM4E
SCHEMBL6853643 0.82 TSHR (0.55) KMT2AKDM4EALDH1A1NPC1POLB
SCHEMBL6853186 0.82 LDHA (0.49) PDE10AKMT2AFAAHPIK3CDBACE1

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