SCHEMBL3817831

SCHEMBL3817831

CCCNC(=O)c1ccc2n1CCN(C(=O)c1cc3ccc(Br)cn3n1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.36
TDP1 Q9NUW8 4/20 0.36
POLB P06746 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 2/20 0.35
NR1H2 P55055 1/20 0.34
ALDH1A1 P00352 6/20 0.33
TSHR P16473 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HTT P42858 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ESR2 Q92731 3/20 0.33
ESR1 P03372 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33

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
SCHEMBL3816843 0.94 NR1H2 (0.36) TDP1POLBNPC1RAB9AMAPT
SCHEMBL3818191 0.89 KDM4E (0.36) TDP1POLBNPC1RAB9ANR1H2
SCHEMBL3819334 0.88 NR1H2 (0.37) TDP1POLBNPC1RAB9AMAPT
SCHEMBL929668 0.86 ALDH1A1 (0.51) TDP1POLBSMN1; SMN2RAB9AMAPT
SCHEMBL3817828 0.85 NR1H2 (0.37) TDP1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL3816606 0.85 HSD17B10 (0.36) TDP1POLBNPC1RAB9AMAPT
SCHEMBL3819246 0.83 NR1H2 (0.36) NPC1RAB9AMAPTNR1H2ALDH1A1
SCHEMBL3813232 0.81 ALDH1A1 (0.40) TDP1POLBNPC1RAB9AMAPT
SCHEMBL3820007 0.81 POLB (0.35) NAMPTTDP1POLBSMN1; SMN2NPC1
SCHEMBL3820097 0.81 ALDH1A1 (0.40) TDP1POLBNPC1RAB9AMAPT

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-2090576-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) 2009-08-19 EP claimed
EP-2090576-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) 2009-08-19 EP disclosed