SCHEMBL7259641

SCHEMBL7259641

CC(=O)N(c1ccoc1)C1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.38
SLC6A2 P23975 8/20 0.38
SLC6A3 Q01959 6/20 0.38
LMNA P02545 1/20 0.36
TACR1 P25103 5/20 0.35
OPRD1 P41143 4/20 0.34
KCNH2 Q12809 3/20 0.34
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34
OPRM1 P35372 3/20 0.33
OPRK1 P41145 3/20 0.33
CYP2D6 P10635 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
SCHEMBL6160138 0.78 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3LMNAOPRD1
Hydrochloric Acid SCHEMBL22797859 0.77 SLC6A2 (0.53) SLC6A4SLC6A2SLC6A3LMNAOPRD1
SCHEMBL2995935 0.76 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3TACR1KCNH2
SCHEMBL7242439 0.70 LMNA (0.43) SLC6A4SLC6A2SLC6A3LMNAKCNH2
SCHEMBL9785728 0.70 QPCT (0.52) SLC6A4SLC6A2SLC6A3TACR1
Hydrochloric Acid SCHEMBL7250522 0.70 LMNA (0.42) SLC6A4SLC6A2SLC6A3LMNAKCNH2
SCHEMBL10771978 0.69 MAPK1 (0.42) SLC6A4SLC6A2OPRK1
SCHEMBL7096956 0.67 CHRM2 (0.41) SLC6A4SLC6A2SLC6A3TACR1OPRD1
SCHEMBL14370158 0.67 LMNA (0.51) SLC6A4SLC6A2SLC6A3LMNAKCNH2
SCHEMBL11779197 0.67 TRPM8 (0.50) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311502-A1 BICYCLIC HETEROAROMATIC DERIVATIVES FOR THE TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS Celltech R&D Limited (GB) 2003-05-21 EP disclosed
WO-2002016353-A1 BICYCLIC HETEROAROMATIC DERIVATIVES FOR THE TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CELLTECH R & D LIMITED (GB) 2002-02-28 WO disclosed