SCHEMBL8027723

SCHEMBL8027723

C[C@@H]1c2ccccc2C(I)CN1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A2 P23975 5/20 0.33
SLC6A4 P31645 5/20 0.33
SLC6A3 Q01959 5/20 0.33
BRD4 O60885 2/20 0.33
NOTUM Q6P988 1/20 0.33
PRCP P42785 1/20 0.33
CCL2 P13500 1/20 0.33
OPRM1 P35372 3/20 0.32
RGS12 O14924 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX12 P18054 1/20 0.32
NFKB1 P19838 1/20 0.32
HTR2A P28223 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL8011443 0.79 NOTUM (0.42) GPR3CHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL8025229 0.79 NOTUM (0.42) GPR3CHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL8025232 0.79 NOTUM (0.42) GPR3CHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL8023208 0.79 NOTUM (0.42) GPR3CHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL5245013 0.68 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3
SCHEMBL13014907 0.68 GPR3 (0.46) GPR3SLC6A4SLC6A3BRD4PRCP
SCHEMBL18559580 0.67 SLC6A2 (0.46) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL11997024 0.67 SLC6A2 (0.46) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL10278431 0.67 SLC6A2 (0.46) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL4311439 0.66 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed