SCHEMBL4089296

SCHEMBL4089296

N#Cc1ccccc1-c1cn2ncccc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
NR3C1 P04150 1/20 0.36
KCNH2 Q12809 1/20 0.36
MET P08581 1/20 0.36
ESR2 Q92731 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA3 P42263 1/20 0.36
PDE4D Q08499 1/20 0.36
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 0.35
GABRA3 P34903 3/20 0.35
GABRA5 P31644 1/20 0.35
KDM4D Q6B0I6 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GRM2 Q14416 1/20 0.34
TRPA1 O75762 1/20 0.34
GABRA1 P14867 2/20 0.34
ATR Q13535 1/20 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
SCHEMBL8195782 0.77 RAB9A (0.50) NPC1RAB9A
SCHEMBL2586809 0.75 HTR2C (0.41) NPC1
SCHEMBL2066709 0.72 EGLN2 (0.33) PDE4DKDM4D
SCHEMBL44375 0.71 ALDH1A3 (0.53)
SCHEMBL30719055 0.71 ATR (0.40) GRM2ATR
SCHEMBL1159554 0.70 GABRG2 (0.38) METESR2PDE4DGABRG2GABRB3
SCHEMBL24697495 0.69 KDM4E (0.50) NPC1RAB9A
SCHEMBL31540362 0.69 KDM4E (0.50) NPC1RAB9A
SCHEMBL28962149 0.67 GABRG2 (0.51) SLC6A2SLC6A4KCNH2METESR2
SCHEMBL973015 0.66 GRIA1 (0.51) ESR2GRIA1GRIA3PDE4DGABRG2

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-2214669-A1 CYTOKINE INHIBITORS Hutchison Medipharma Enterprises Limited (BS) 2010-08-11 EP disclosed
WO-2009059162-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2009-05-07 WO disclosed