SCHEMBL3396693

SCHEMBL3396693

CCCN(CC1CC1)C1CCN(Cc2cn(CC)c(-c3cccc4ccccc34)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.40
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ACHE P22303 1/20 0.35
CRHR1 P34998 2/20 0.35
DRD2 P14416 3/20 0.34
HTR2C P28335 1/20 0.33
DRD3 P35462 2/20 0.33
BCHE P06276 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL3396799 0.87 ACHE (0.40) HTR7SLC6A4SLC6A2SLC6A3ACHE
SCHEMBL3404844 0.81 ACHE (0.36) HTR7SLC6A4SLC6A2SLC6A3ACHE
SCHEMBL3399762 0.79 KMT2A (0.45) LMNA
SCHEMBL3396747 0.78 ALDH1A1 (0.40) ACHE
SCHEMBL3399916 0.77 ALDH1A1 (0.42) ACHE
SCHEMBL13310392 0.77 ALDH1A1 (0.42) ACHE
SCHEMBL3405131 0.77 TLR8 (0.43) SLC6A4SLC6A2SLC6A3DRD2LMNA
SCHEMBL3399827 0.76 SIGMAR1 (0.43) ACHEDRD3LMNA
SCHEMBL3404354 0.76 SIGMAR1 (0.46) ACHEDRD3LMNA
SCHEMBL3402431 0.74 CCND1 (0.40) ACHELMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed