SCHEMBL3631945

SCHEMBL3631945

N#Cc1ccc(N(Cc2cccc(C(F)(F)F)c2)C2CCNCC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.51
SLC6A4 P31645 6/20 0.51
SLC6A3 Q01959 4/20 0.44
HTR2C P28335 4/20 0.42
HTR2B P41595 2/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
HTR6 P50406 1/20 0.41
TACR1 P25103 2/20 0.40
MAP4K3 Q8IVH8 1/20 0.40
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
ELANE P08246 3/20 0.39

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
SCHEMBL3634073 0.88 TACR1 (0.44) SLC6A2SLC6A4SLC6A3TACR1KDM1A
SCHEMBL3814247 0.83 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL3633393 0.83 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3TACR1KDM1A
SCHEMBL3633857 0.82 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL3633063 0.78 CYP3A4 (0.38) SLC6A2SLC6A4DCUN1D1HTR6TACR1
SCHEMBL3972485 0.77 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3HTR6KDM1A
SCHEMBL3978579 0.77 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KDM1AMAOB
SCHEMBL3972421 0.77 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3HTR6KDM1A
SCHEMBL3972380 0.77 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3HTR6KDM1A
SCHEMBL3973401 0.76 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3KDM1AMAOB

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-2148872-A1 PYRIDINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2010-02-03 EP claimed
WO-2008128994-A1 PYRIDINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 WO claimed
EP-2148872-A1 PYRIDINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2010-02-03 EP disclosed
WO-2008128994-A1 PYRIDINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 WO disclosed