SCHEMBL8025529

SCHEMBL8025529

COC(=O)c1ccc2c(c1)CCN(C)C2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.50
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SRD5A1 P18405 1/20 0.43
SRD5A2 P31213 1/20 0.43
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.42
XIAP P98170 1/20 0.42

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
SCHEMBL8029058 0.89 MAOA (0.50) MAOAALDH1A1KDM4EGAANPC1
SCHEMBL8028798 0.76 HPGD (0.50) MAOAALDH1A1KDM4EGAAMAPT
SCHEMBL13548830 0.76 CHRNB2 (0.50) CHRNB2CHRNA4ALDH1A1KDM4EGAA
SCHEMBL12608358 0.76 HDAC6 (0.50) ALDH1A1KDM4EGAANPC1HPGD
SCHEMBL3440725 0.75 MAOA (0.50) MAOANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL13548841 0.75 CHRNB2 (0.49) CHRNB2CHRNA4ALDH1A1KDM4EGAA
SCHEMBL8024197 0.75 MAOA (0.60) MAOASRD5A1DRD2DRD1DRD4
SCHEMBL2573314 0.75 MTNR1B (0.46) ALDH1A1KDM4EGAALMNAPOLB
SCHEMBL17538340 0.74 CHRNB2 (0.46) CHRNB2CHRNA4ALDH1A1KDM4EGAA
SCHEMBL22943673 0.74 CHRNA7 (0.46) CHRNB2CHRNA4ALDH1A1KDM4ENPC1

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