SCHEMBL4419012

SCHEMBL4419012

O=C(O)N1CCc2nn(Cc3c(F)cccc3F)c(-c3ccc(Cl)cc3)c2CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 4/20 0.46
CNR1 P21554 7/20 0.39
P2RX7 Q99572 2/20 0.37
DRD4 P21917 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
RORC P51449 1/20 0.37
C5AR1 P21730 2/20 0.36
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2076211 0.86 KCNK3 (0.43) KCNK3CNR1RORCC5AR1KMT2A
SCHEMBL14712449 0.80 NR1H2 (0.40) KCNK3NR1H2NR1H3KMT2A
SCHEMBL1477714 0.79 HTR2C (0.54) NR1H2NR1H3
SCHEMBL2077263 0.75 MEN1 (0.41) CNR1C5AR1KMT2A
SCHEMBL4699121 0.75 MEN1 (0.41) KMT2A
SCHEMBL2077305 0.73 SLC16A3 (0.44) KCNK3CNR1C5AR1KMT2A
SCHEMBL4427755 0.72 HTR2A (0.50) CNR1P2RX7
SCHEMBL2077121 0.71 PREP (0.42) KCNK3CNR1P2RX7C5AR1KMT2A
SCHEMBL2074833 0.70 KCNK3 (0.46) KCNK3CNR1NR1H2NR1H3MAPT
SCHEMBL4419022 0.70 HTR7 (0.65) KCNK3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1905774-B1 Fused heterocyclic compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2013-02-20 EP disclosed
EP-1668014-B1 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-01-14 EP disclosed
EP-1944306-A1 Fused heterocyclic compounds as serotonin receptor modulators Janssen Pharmaceutica, N.V. (BE) 2008-07-16 EP disclosed
EP-1905774-A1 Fused heterocyclic compounds as serotonin receptor modulators Janssen Pharmaceutica, N.V. (BE) 2008-04-02 EP disclosed
EP-1668014-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-14 EP disclosed
WO-2005040169-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-06 WO disclosed