SCHEMBL3821333

SCHEMBL3821333

N#Cc1ccc(N(Cc2cc(F)c(F)c(F)c2)C2CCNCC2)nn1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.39
SLC6A4 P31645 11/20 0.39
SLC6A3 Q01959 11/20 0.39
PANK3 Q9H999 4/20 0.37
NOS2 P35228 4/20 0.36
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34

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
SCHEMBL3820758 0.90 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3PANK3NOS2
SCHEMBL3818638 0.90 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3NOS2NOS3
SCHEMBL3821207 0.86 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3PANK3
SCHEMBL3823147 0.84 TACR1 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL3818883 0.84 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3NOS2
SCHEMBL3824402 0.82 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3NOS2
SCHEMBL3633857 0.82 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3NOS2
SCHEMBL3814247 0.82 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3NOS2
SCHEMBL3818198 0.81 NOS2 (0.47) SLC6A2SLC6A4SLC6A3NOS2NOS3
SCHEMBL3820183 0.76 CTSL (0.36) SLC6A2SLC6A4SLC6A3PANK3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091938-A1 PIPERIDINYLAMINO-PYRIDAZINES AND THEIR USE AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-26 EP claimed
WO-2008068277-A1 PIPERIDINYLAMINO-PYRIDAZINES AND THEIR USE AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 WO claimed
EP-2091938-A1 PIPERIDINYLAMINO-PYRIDAZINES AND THEIR USE AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-26 EP disclosed
WO-2008068277-A1 PIPERIDINYLAMINO-PYRIDAZINES AND THEIR USE AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 WO disclosed