SCHEMBL6853531

SCHEMBL6853531

c1ccc(-c2nc3ccccc3cc2CN2CCC(c3ccccc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.50
DRD4 P21917 7/20 0.50
DRD3 P35462 5/20 0.50
GRM2 Q14416 2/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
AKT1 P31749 3/20 0.44
AKT2 P31751 1/20 0.44
AKT3 Q9Y243 1/20 0.44
CHRNA7 P36544 2/20 0.44
GRIN2B Q13224 1/20 0.43
SLC18A3 Q16572 1/20 0.43
HTR2B P41595 1/20 0.42

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
SCHEMBL5945358 0.86 SLC2A1 (0.46) AKT1AKT2AKT3HTR2B
SCHEMBL6854970 0.82 KMT2A (0.50) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL6851740 0.81 AKT1 (0.48) KDM4EALDH1A1AKT1AKT2
SCHEMBL6853013 0.81 HRH3 (0.48) KMT2AKDM4EALDH1A1
SCHEMBL6851652 0.80 TACR3 (0.50) KMT2AKDM4EALDH1A1AKT1
SCHEMBL6853374 0.80 TACR3 (0.50) DRD4DRD3MEN1KMT2AKDM4E
SCHEMBL5442168 0.80 PDE10A (0.43) MEN1KMT2AKDM4EALDH1A1AKT1
SCHEMBL28806851 0.78 DHFR (0.47) DRD2DRD4DRD3GRM2KDM4E
SCHEMBL6853077 0.78 HTR2B (0.49) DRD2DRD4DRD3GRM2KMT2A
SCHEMBL6848935 0.78 SLC2A1 (0.44) KDM4EALDH1A1

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